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

Systemtic Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-oxidanylidene-5-[(propan-2-ylamino)methyl]-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-[(isopropylamino)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[3-[[(3-cyanoanilino)-oxomethyl]amino]-2-oxo-5-[(propan-2-ylamino)methyl]-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-2-oxo-5-[(propan-2-ylamino)methyl]-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[3-[(3-cyanophenyl)carbamoylamino]-5-[(isopropylamino)methyl]-2-keto-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide Formula: C30H31N7O3 MolecularWeight: 537.61224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=NC(C(=O)N(C2=CC=CC=C21)CC(=O)N(C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C)NCC1=NC(C(=O)N(C2=CC=CC=C21)CC(=O)N(C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C30H31N7O3/c1-20(2)32-18-25-24-14-7-8-15-26(24)37(19-27(38)36(3)23-12-5-4-6-13-23)29(39)28(34-25)35-30(40)33-22-11-9-10-21(16-22)17-31/h4-16,20,28,32H,18-19H2,1-3H3,(H2,33,35,40)