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

Systemtic Name: 2-[[3-[(4-chlorophenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]ethanoic acid Openeye Name: 2-[[3-[(4-chlorophenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]acetic acid CAS Name: 2-[[3-[[(4-chloroanilino)-oxomethyl]amino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]acetic acid IUPAC Name: 2-[[3-[(4-chlorophenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]acetic acid Traditional Name: 2-[[3-[(4-chlorophenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]acetic acid Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=NC3=CC=CC=C32)NCC(=O)O)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=NC3=CC=CC=C32)NCC(=O)O)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN5O3/c25-16-10-12-17(13-11-16)27-24(33)30-23-22(26-14-20(31)32)28-19-9-5-4-8-18(19)21(29-23)15-6-2-1-3-7-15/h1-13,23H,14H2,(H,26,28)(H,31,32)(H2,27,30,33)