1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]piperidine-3-carboxamide Openeye Name: 1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]piperidine-3-carboxamide CAS Name: 1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]piperidine-3-carboxamide Traditional Name: 1-butyl-6-keto-2-(4-methoxyphenyl)-N-[(6-pyrrolidino-3-pyridyl)methyl]nipecotamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)NCC2=CN=C(C=C2)N3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)NCC2=CN=C(C=C2)N3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H36N4O3/c1-3-4-17-31-25(32)14-12-23(26(31)21-8-10-22(34-2)11-9-21)27(33)29-19-20-7-13-24(28-18-20)30-15-5-6-16-30/h7-11,13,18,23,26H,3-6,12,14-17,19H2,1-2H3,(H,29,33)