5-[(4-cyanophenyl)carbonylamino]-3-(diethylaminomethyl)-2-(2-methylphenyl)benzamide

Systemtic Name: 5-[(4-cyanophenyl)carbonylamino]-3-(diethylaminomethyl)-2-(2-methylphenyl)benzamide Openeye Name: 5-[(4-cyanobenzoyl)amino]-3-(diethylaminomethyl)-2-(o-tolyl)benzamide CAS Name: 5-[[(4-cyanophenyl)-oxomethyl]amino]-3-(diethylaminomethyl)-2-(2-methylphenyl)benzamide IUPAC Name: 5-[(4-cyanobenzoyl)amino]-3-(diethylaminomethyl)-2-(2-methylphenyl)benzamide Traditional Name: 5-[(4-cyanobenzoyl)amino]-3-(diethylaminomethyl)-2-(o-tolyl)benzamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)N)C3=CC=CC=C3C

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)N)C3=CC=CC=C3C

InChI

InChI=1S/C27H28N4O2/c1-4-31(5-2)17-21-14-22(30-27(33)20-12-10-19(16-28)11-13-20)15-24(26(29)32)25(21)23-9-7-6-8-18(23)3/h6-15H,4-5,17H2,1-3H3,(H2,29,32)(H,30,33)