2-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[oxo-(3,4,5-triethoxyphenyl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3,4,5-triethoxybenzoyl)piperazino]isonicotinonitrile Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C23H28N4O4/c1-4-29-19-14-18(15-20(30-5-2)22(19)31-6-3)23(28)27-11-9-26(10-12-27)21-13-17(16-24)7-8-25-21/h7-8,13-15H,4-6,9-12H2,1-3H3