2-[4-[4-oxidanylidene-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[4-oxidanylidene-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[1,4-dioxo-4-(4-pentoxyphenyl)butyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[4-(4-amoxyphenyl)-4-keto-butanoyl]piperazino]isonicotinonitrile Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C25H30N4O3/c1-2-3-4-17-32-22-7-5-21(6-8-22)23(30)9-10-25(31)29-15-13-28(14-16-29)24-18-20(19-26)11-12-27-24/h5-8,11-12,18H,2-4,9-10,13-17H2,1H3