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

Systemtic Name: 1-[5-cyclohexyl-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Openeye Name: 1-(5-cyclohexyl-1-isobutyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]urea CAS Name: 1-[5-cyclohexyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]urea IUPAC Name: 1-[5-cyclohexyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Traditional Name: 1-(5-cyclohexyl-1-isobutyl-2-keto-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidinopiperidino)phenyl]urea Formula: C36H50N6O2 MolecularWeight: 598.8212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C6CCCCC6

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C6CCCCC6

InChI

InChI=1S/C36H50N6O2/c1-26(2)25-42-32-14-8-7-13-31(32)33(27-11-5-3-6-12-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-23-19-30(20-24-41)40-21-9-4-10-22-40/h7-8,13-18,26-27,30,34H,3-6,9-12,19-25H2,1-2H3,(H2,37,39,44)