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

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Openeye Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]urea CAS Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]urea IUPAC Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Traditional Name: 1-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidinopiperidino)phenyl]urea Formula: C33H38N6O2 MolecularWeight: 550.69382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C6=CC=CC=C6

InChI

InChI=1S/C33H38N6O2/c1-37-29-13-7-6-12-28(29)30(24-10-4-2-5-11-24)35-31(32(37)40)36-33(41)34-25-14-16-26(17-15-25)39-22-18-27(19-23-39)38-20-8-3-9-21-38/h2,4-7,10-17,27,31H,3,8-9,18-23H2,1H3,(H2,34,36,41)