N-(1-ethynylcyclohexyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butanamide

Systemtic Name: N-(1-ethynylcyclohexyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butanamide Openeye Name: N-(1-ethynylcyclohexyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butanamide CAS Name: N-(1-ethynylcyclohexyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenylbutanamide IUPAC Name: N-(1-ethynylcyclohexyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutanamide Traditional Name: N-(1-ethynylcyclohexyl)-4-[4-(2-methoxyphenyl)piperazino]-2-phenyl-butyramide Formula: C29H37N3O2 MolecularWeight: 459.62298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)NC4(CCCCC4)C#C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)NC4(CCCCC4)C#C

InChI

InChI=1S/C29H37N3O2/c1-3-29(17-10-5-11-18-29)30-28(33)25(24-12-6-4-7-13-24)16-19-31-20-22-32(23-21-31)26-14-8-9-15-27(26)34-2/h1,4,6-9,12-15,25H,5,10-11,16-23H2,2H3,(H,30,33)