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

Systemtic Name: N-[cyano-(2-methoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-cyclohexane-1-carboxamide Openeye Name: N-[cyano-(2-methoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexanecarboxamide CAS Name: N-[cyano-(2-methoxyphenyl)methyl]-2-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxamide IUPAC Name: N-[cyano-(2-methoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide Traditional Name: N-[cyano-(2-methoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexanecarboxamide Formula: C27H31FN4O3 MolecularWeight: 478.558443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)NC(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1C(C#N)NC(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O3/c1-35-25-9-5-4-8-23(25)24(18-29)30-26(33)21-6-2-3-7-22(21)27(34)32-16-14-31(15-17-32)20-12-10-19(28)11-13-20/h4-5,8-13,21-22,24H,2-3,6-7,14-17H2,1H3,(H,30,33)