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

Systemtic Name: 4-[[3-(cyanomethyl)-2-methyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-(cyanomethyl)-2-methyl-anilino]-6,7-dimethoxy-quinoline-3-carboxamide CAS Name: 4-[3-(cyanomethyl)-2-methylanilino]-6,7-dimethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-(cyanomethyl)-2-methylanilino]-6,7-dimethoxyquinoline-3-carboxamide Traditional Name: 4-[3-(cyanomethyl)-2-methyl-anilino]-6,7-dimethoxy-quinoline-3-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CC#N

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CC#N

InChI

InChI=1S/C21H20N4O3/c1-12-13(7-8-22)5-4-6-16(12)25-20-14-9-18(27-2)19(28-3)10-17(14)24-11-15(20)21(23)26/h4-6,9-11H,7H2,1-3H3,(H2,23,26)(H,24,25)