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

Systemtic Name: 4-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]butanoic acid Openeye Name: 4-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]butanoic acid CAS Name: 4-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]butanoic acid IUPAC Name: 4-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]butanoic acid Traditional Name: 4-[[7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]butyric acid Formula: C19H17BrClN3O3 MolecularWeight: 450.71358

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrClN3O3/c20-11-7-8-15-13(10-11)17(12-4-1-2-5-14(12)21)24-18(19(27)23-15)22-9-3-6-16(25)26/h1-2,4-5,7-8,10,18,22H,3,6,9H2,(H,23,27)(H,25,26)