4-[(7-bromanyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butanoic acid

Systemtic Name: 4-[(7-bromanyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butanoic acid Openeye Name: 4-[(7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butanoic acid CAS Name: 4-[(7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butanoic acid IUPAC Name: 4-[(7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butanoic acid Traditional Name: 4-[(7-bromo-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butyric acid Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NCCCC(=O)O

InChI

InChI=1S/C19H18BrN3O3/c20-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)23-18(19(26)22-15)21-10-4-7-16(24)25/h1-3,5-6,8-9,11,18,21H,4,7,10H2,(H,22,26)(H,24,25)