N-(2-azanylethyl)-2-(4-fluorophenyl)-1-(3-methylphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(4-fluorophenyl)-1-(3-methylphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-1-(3-methylbenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-1-[(3-methylphenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-1-(3-methylbenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-4-keto-1-m-toluoyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C26H25FN4O3 MolecularWeight: 460.500103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCCN)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCCN)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H25FN4O3/c1-16-3-2-4-19(13-16)26(34)31-22-10-7-18(25(33)29-12-11-28)14-21(22)30-24(32)15-23(31)17-5-8-20(27)9-6-17/h2-10,13-14,23H,11-12,15,28H2,1H3,(H,29,33)(H,30,32)