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

Systemtic Name: 1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-(1-ethyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-[4-[4-(dimethylamino)-1-piperidyl]phenyl]-3-(1-ethyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-[4-[4-(dimethylamino)-1-piperidinyl]phenyl]-3-(1-ethyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-(1-ethyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-[4-[4-(dimethylamino)piperidino]phenyl]-3-(1-ethyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C31H36N6O2 MolecularWeight: 524.65654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=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/C31H36N6O2/c1-4-37-27-13-9-8-12-26(27)28(22-10-6-5-7-11-22)33-29(30(37)38)34-31(39)32-23-14-16-25(17-15-23)36-20-18-24(19-21-36)35(2)3/h5-17,24,29H,4,18-21H2,1-3H3,(H2,32,34,39)