3-[(4-fluorophenyl)methyl]-4-oxidanylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide

Systemtic Name: 3-[(4-fluorophenyl)methyl]-4-oxidanylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide Openeye Name: 3-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide CAS Name: 3-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide IUPAC Name: 3-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide Traditional Name: 3-(4-fluorobenzyl)-4-keto-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide Formula: C17H16FN3O2 MolecularWeight: 313.326243

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C(N1)C=CC(=C2)C(=O)N)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C(C(=O)NC2=C(N1)C=CC(=C2)C(=O)N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O2/c18-13-4-1-10(2-5-13)7-12-9-20-14-6-3-11(16(19)22)8-15(14)21-17(12)23/h1-6,8,12,20H,7,9H2,(H2,19,22)(H,21,23)