N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]-3-methyl-N-(3-methylphenyl)carbonyl-benzamide

Systemtic Name: N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]-3-methyl-N-(3-methylphenyl)carbonyl-benzamide Openeye Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]-3-methyl-N-(3-methylbenzoyl)benzamide CAS Name: N-[3-cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-3-methyl-N-[(3-methylphenyl)-oxomethyl]benzamide IUPAC Name: N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-3-methyl-N-(3-methylbenzoyl)benzamide Traditional Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]-3-methyl-N-m-toluoyl-benzamide Formula: C33H26N4O2 MolecularWeight: 510.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(C2=NC3=CC=CC=C3C(=C2C#N)NCC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(C2=NC3=CC=CC=C3C(=C2C#N)NCC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C33H26N4O2/c1-22-10-8-14-25(18-22)32(38)37(33(39)26-15-9-11-23(2)19-26)31-28(20-34)30(27-16-6-7-17-29(27)36-31)35-21-24-12-4-3-5-13-24/h3-19H,21H2,1-2H3,(H,35,36)