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

Systemtic Name: N-[cyano-(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide Openeye Name: N-[cyano-(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)cyclohexanecarboxamide CAS Name: N-[cyano-(2-methoxyphenyl)methyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-cyclohexanecarboxamide IUPAC Name: N-[cyano-(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide Traditional Name: N-[cyano-(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)cyclohexanecarboxamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCCCC2C(=O)NC(C#N)C3=CC=CC=C3OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CCCCC2C(=O)NC(C#N)C3=CC=CC=C3OC

InChI

InChI=1S/C22H30N4O3/c1-25-11-13-26(14-12-25)22(28)17-8-4-3-7-16(17)21(27)24-19(15-23)18-9-5-6-10-20(18)29-2/h5-6,9-10,16-17,19H,3-4,7-8,11-14H2,1-2H3,(H,24,27)