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

Systemtic Name: 1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]urea Openeye Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)-1-piperidyl]phenyl]urea CAS Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)-1-piperidinyl]phenyl]urea IUPAC Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(dimethylamino)piperidino]phenyl]urea Formula: C32H44N6O2 MolecularWeight: 544.73076

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5CCCCC5

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N(C)C)C5CCCCC5

InChI

InChI=1S/C32H44N6O2/c1-4-20-38-28-13-9-8-12-27(28)29(23-10-6-5-7-11-23)34-30(31(38)39)35-32(40)33-24-14-16-26(17-15-24)37-21-18-25(19-22-37)36(2)3/h8-9,12-17,23,25,30H,4-7,10-11,18-22H2,1-3H3,(H2,33,35,40)