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

Systemtic Name: 1-(1-butyl-5-cyclohexyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]urea Openeye Name: 1-(1-butyl-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)-1-piperidyl]phenyl]urea CAS Name: 1-(1-butyl-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)-1-piperidinyl]phenyl]urea IUPAC Name: 1-(1-butyl-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]urea Traditional Name: 1-(1-butyl-5-cyclohexyl-2-keto-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)piperidino]phenyl]urea Formula: C33H46N6O2 MolecularWeight: 558.75734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5CCCCC5

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5CCCCC5

InChI

InChI=1S/C33H46N6O2/c1-4-5-21-39-29-14-10-9-13-28(29)30(24-11-7-6-8-12-24)35-31(32(39)40)36-33(41)34-25-15-17-27(18-16-25)38-22-19-26(20-23-38)37(2)3/h9-10,13-18,24,26,31H,4-8,11-12,19-23H2,1-3H3,(H2,34,36,41)