(4-cyclohexylpiperazin-1-yl)-[1-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]piperidin-4-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-1-yl)-[1-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]piperidin-4-yl]methanone Openeye Name: (4-cyclohexylpiperazin-1-yl)-[1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridyl]-4-piperidyl]methanone CAS Name: (4-cyclohexyl-1-piperazinyl)-[1-[3-(2,5-dimethyl-1-pyrrolyl)-2-pyridinyl]-4-piperidinyl]methanone IUPAC Name: (4-cyclohexylpiperazin-1-yl)-[1-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]piperidin-4-yl]methanone Traditional Name: (4-cyclohexylpiperazino)-[1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridyl]-4-piperidyl]methanone Formula: C27H39N5O MolecularWeight: 449.63146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(N=CC=C2)N3CCC(CC3)C(=O)N4CCN(CC4)C5CCCCC5)C

Isomeric SMILES

CC1=CC=C(N1C2=C(N=CC=C2)N3CCC(CC3)C(=O)N4CCN(CC4)C5CCCCC5)C

InChI

InChI=1S/C27H39N5O/c1-21-10-11-22(2)32(21)25-9-6-14-28-26(25)30-15-12-23(13-16-30)27(33)31-19-17-29(18-20-31)24-7-4-3-5-8-24/h6,9-11,14,23-24H,3-5,7-8,12-13,15-20H2,1-2H3