2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-(m-tolylmethyl)cyclohexanecarboxamide CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-N-[(3-methylphenyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylbenzyl)cyclohexanecarboxamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H35N3O3/c1-20-6-5-7-21(18-20)19-28-26(31)24-8-3-4-9-25(24)27(32)30-16-14-29(15-17-30)22-10-12-23(33-2)13-11-22/h5-7,10-13,18,24-25H,3-4,8-9,14-17,19H2,1-2H3,(H,28,31)