4-[3-[3-(2,4-dichlorophenyl)propanoylamino]-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide

Systemtic Name: 4-[3-[3-(2,4-dichlorophenyl)propanoylamino]-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 4-[3-[3-(2,4-dichlorophenyl)propanoylamino]-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 4-[3-[[3-(2,4-dichlorophenyl)-1-oxopropyl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 4-[3-[3-(2,4-dichlorophenyl)propanoylamino]-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 4-[3-[3-(2,4-dichlorophenyl)propanoylamino]-2-keto-1-p-anisyl-3H-1,4-benzodiazepin-5-yl]benzamide Formula: C33H28Cl2N4O4 MolecularWeight: 615.50582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)CCC4=C(C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)CCC4=C(C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C33H28Cl2N4O4/c1-43-25-15-6-20(7-16-25)19-39-28-5-3-2-4-26(28)30(22-8-10-23(11-9-22)31(36)41)38-32(33(39)42)37-29(40)17-13-21-12-14-24(34)18-27(21)35/h2-12,14-16,18,32H,13,17,19H2,1H3,(H2,36,41)(H,37,40)