1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-(2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-(2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-[4-[4-(dimethylamino)-1-piperidyl]phenyl]-3-(1-isopropyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-[4-[4-(dimethylamino)-1-piperidinyl]phenyl]-3-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-(2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-[4-[4-(dimethylamino)piperidino]phenyl]-3-(1-isopropyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C32H38N6O2 MolecularWeight: 538.68312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5=CC=CC=C5

InChI

InChI=1S/C32H38N6O2/c1-22(2)38-28-13-9-8-12-27(28)29(23-10-6-5-7-11-23)34-30(31(38)39)35-32(40)33-24-14-16-26(17-15-24)37-20-18-25(19-21-37)36(3)4/h5-17,22,25,30H,18-21H2,1-4H3,(H2,33,35,40)