N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide CAS Name: 1-(1-oxo-3-phenylpropyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide Traditional Name: 1-hydrocinnamoyl-N-[6-(3-ketopiperazino)-3-pyridyl]isonipecotamide Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3/c30-22-17-29(15-12-25-22)21-8-7-20(16-26-21)27-24(32)19-10-13-28(14-11-19)23(31)9-6-18-4-2-1-3-5-18/h1-5,7-8,16,19H,6,9-15,17H2,(H,25,30)(H,27,32)