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

Systemtic Name: 2-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanamide Openeye Name: 2-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-N-[4-[4-(dimethylamino)-1-piperidyl]phenyl]acetamide CAS Name: 2-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-N-[4-[4-(dimethylamino)-1-piperidinyl]phenyl]acetamide IUPAC Name: 2-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]acetamide Traditional Name: 2-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-N-[4-[4-(dimethylamino)piperidino]phenyl]acetamide Formula: C33H45N5O2 MolecularWeight: 543.7427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45N5O2/c1-4-20-38-30-13-9-8-12-28(30)32(24-10-6-5-7-11-24)35-29(33(38)40)23-31(39)34-25-14-16-27(17-15-25)37-21-18-26(19-22-37)36(2)3/h8-9,12-17,24,26,29H,4-7,10-11,18-23H2,1-3H3,(H,34,39)