2SN
Summary
Name: | 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine |
Formula: | C19 H22 N4 |
Formal charge: | 0 |
Formula weight: | 306.405 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22) |
InChIKey | InChI | 1.03 | KLVQNBMBSWDRJZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1 |
SMILES | CACTVS | 3.385 | CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N |