4-[[3-(aminomethyl)-2-methyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[3-(aminomethyl)-2-methyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-(aminomethyl)-2-methyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-(aminomethyl)-2-methylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-(aminomethyl)-2-methylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-(aminomethyl)-2-methyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3C)CN)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3C)CN)OCC

InChI

InChI=1S/C22H26N4O3/c1-4-28-19-9-15-18(10-20(19)29-5-2)25-12-16(22(24)27)21(15)26-17-8-6-7-14(11-23)13(17)3/h6-10,12H,4-5,11,23H2,1-3H3,(H2,24,27)(H,25,26)