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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NCC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C6CCCCC6

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NCC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C6CCCCC6

InChI

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