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

Systemtic Name: 1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)piperidin-1-yl]phenyl]urea Openeye Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(2-oxopyrrolidin-1-yl)-1-piperidyl]phenyl]urea CAS Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(2-oxo-1-pyrrolidinyl)-1-piperidinyl]phenyl]urea IUPAC Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(2-ketopyrrolidino)piperidino]phenyl]urea Formula: C34H44N6O3 MolecularWeight: 584.75156

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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)N5CCCC5=O)C6CCCCC6

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCC5=O)C6CCCCC6

InChI

InChI=1S/C34H44N6O3/c1-2-20-40-29-12-7-6-11-28(29)31(24-9-4-3-5-10-24)36-32(33(40)42)37-34(43)35-25-14-16-26(17-15-25)38-22-18-27(19-23-38)39-21-8-13-30(39)41/h6-7,11-12,14-17,24,27,32H,2-5,8-10,13,18-23H2,1H3,(H2,35,37,43)