2-[3-[(3-cyanophenyl)carbamoylamino]-5-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[3-[[(3-cyanoanilino)-oxomethyl]amino]-5-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-keto-5-[(4-methylpiperazino)methyl]-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide Formula: C32H34N8O3 MolecularWeight: 578.66416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)N(C)C4=CC=CC=C4)NC(=O)NC5=CC=CC(=C5)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)N(C)C4=CC=CC=C4)NC(=O)NC5=CC=CC(=C5)C#N

InChI

InChI=1S/C32H34N8O3/c1-37-15-17-39(18-16-37)21-27-26-13-6-7-14-28(26)40(22-29(41)38(2)25-11-4-3-5-12-25)31(42)30(35-27)36-32(43)34-24-10-8-9-23(19-24)20-33/h3-14,19,30H,15-18,21-22H2,1-2H3,(H2,34,36,43)