3-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid

Systemtic Name: 3-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid Openeye Name: 3-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid CAS Name: 3-[3-[[(4-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid IUPAC Name: 3-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid Traditional Name: 3-[3-[(4-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]propionic acid Formula: C25H21ClN4O4 MolecularWeight: 476.91164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCC(=O)O)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCC(=O)O)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN4O4/c26-17-10-12-18(13-11-17)27-25(34)29-23-24(33)30(15-14-21(31)32)20-9-5-4-8-19(20)22(28-23)16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,31,32)(H2,27,29,34)