2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O3/c1-20-18-25(21(2)30(20)23-8-10-24(33-3)11-9-23)26(31)19-28-16-12-22(13-17-28)27(32)29-14-6-4-5-7-15-29/h8-11,18,22H,4-7,12-17,19H2,1-3H3