1-[4-[3-(4-cyclohexylpiperazin-1-yl)carbonyl-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[3-(4-cyclohexylpiperazin-1-yl)carbonyl-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[4-[3-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-6-methyl-2-pyridyl]piperidino]-2-phenoxy-ethanone Formula: C30H40N4O3 MolecularWeight: 504.6636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)C4CCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)C4CCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C30H40N4O3/c1-23-12-13-27(30(36)34-20-18-32(19-21-34)25-8-4-2-5-9-25)29(31-23)24-14-16-33(17-15-24)28(35)22-37-26-10-6-3-7-11-26/h3,6-7,10-13,24-25H,2,4-5,8-9,14-22H2,1H3