1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]isonipecotamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-19-17-25(20(2)30(19)23-9-11-24(33-3)12-10-23)27(32)29-15-13-22(14-16-29)26(31)28-18-21-7-5-4-6-8-21/h4-12,17,22H,13-16,18H2,1-3H3,(H,28,31)