N-(4-butoxyphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-butoxyphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-(4-butoxyphenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carboxamide CAS Name: N-(4-butoxyphenyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-butoxyphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-(4-butoxyphenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H25N5O2/c1-2-3-14-28-19-7-5-18(6-8-19)24-21(27)26-12-10-25(11-13-26)20-9-4-17(15-22)16-23-20/h4-9,16H,2-3,10-14H2,1H3,(H,24,27)