3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]butanoic acid

Systemtic Name: 3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]butanoic acid Openeye Name: 3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]butanoic acid CAS Name: 3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]butanoic acid IUPAC Name: 3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]butanoic acid Traditional Name: 3-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]butyric acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CC(CC(=O)O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O3/c1-13(12-17(24)25)21-19-20(26)23(2)16-11-7-6-10-15(16)18(22-19)14-8-4-3-5-9-14/h3-11,13,19,21H,12H2,1-2H3,(H,24,25)