3-hexyl-5-methyl-2-oxidanylidene-1-[1-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]cyclohexane-1-carboxamide

Systemtic Name: 3-hexyl-5-methyl-2-oxidanylidene-1-[1-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]cyclohexane-1-carboxamide Openeye Name: 1-(1-benzyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-3-hexyl-5-methyl-2-oxo-cyclohexanecarboxamide CAS Name: 3-hexyl-5-methyl-2-oxo-1-[1-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1-cyclohexanecarboxamide IUPAC Name: 1-(1-benzyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-3-hexyl-5-methyl-2-oxocyclohexane-1-carboxamide Traditional Name: 1-(1-benzyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-3-hexyl-2-keto-5-methyl-cyclohexanecarboxamide Formula: C30H41N3O2 MolecularWeight: 475.66544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(CC(C1=O)(C(=O)N)N2CCN(C3=CC=CC=C3C2)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCC1CC(CC(C1=O)(C(=O)N)N2CCN(C3=CC=CC=C3C2)CC4=CC=CC=C4)C

InChI

InChI=1S/C30H41N3O2/c1-3-4-5-9-14-25-19-23(2)20-30(28(25)34,29(31)35)33-18-17-32(21-24-12-7-6-8-13-24)27-16-11-10-15-26(27)22-33/h6-8,10-13,15-16,23,25H,3-5,9,14,17-22H2,1-2H3,(H2,31,35)