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

Systemtic Name: ethyl 2-[[3-[(4-chlorophenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]ethanoate Openeye Name: ethyl 2-[[3-[(4-chlorophenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]acetate CAS Name: 2-[[3-[[(4-chloroanilino)-oxomethyl]amino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(4-chlorophenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]acetate Traditional Name: 2-[[3-[(4-chlorophenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-2-yl]amino]acetic acid ethyl ester Formula: C26H24ClN5O3 MolecularWeight: 489.95346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=NC2=CC=CC=C2C(=NC1NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CNC1=NC2=CC=CC=C2C(=NC1NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H24ClN5O3/c1-2-35-22(33)16-28-24-25(32-26(34)29-19-14-12-18(27)13-15-19)31-23(17-8-4-3-5-9-17)20-10-6-7-11-21(20)30-24/h3-15,25H,2,16H2,1H3,(H,28,30)(H2,29,32,34)