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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2,5-dimethyl-1-(o-tolyl)pyrrole-3-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2,5-dimethyl-1-(o-tolyl)pyrrole-3-carbonyl]isonipecotamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H29N3O4/c1-17-6-4-5-7-23(17)30-18(2)14-22(19(30)3)27(32)29-12-10-20(11-13-29)26(31)28-21-8-9-24-25(15-21)34-16-33-24/h4-9,14-15,20H,10-13,16H2,1-3H3,(H,28,31)