(3S)-3-azanyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one; ethanoic acid

Systemtic Name: (3S)-3-azanyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one; ethanoic acid Openeye Name: acetic acid; (3S)-3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: acetic acid; (3S)-3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: acetic acid; (3S)-3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: acetic acid; (3S)-3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)N

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)N

InChI

InChI=1S/C15H13N3O.C2H4O2/c16-14-15(19)17-12-9-5-4-8-11(12)13(18-14)10-6-2-1-3-7-10;1-2(3)4/h1-9,14H,16H2,(H,17,19);1H3,(H,3,4)/t14-;/m0./s1