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

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3,4-diethoxyphenyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3,4-diethoxybenzoyl)piperazino]isonicotinonitrile Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)OCC

InChI

InChI=1S/C21H24N4O3/c1-3-27-18-6-5-17(14-19(18)28-4-2)21(26)25-11-9-24(10-12-25)20-13-16(15-22)7-8-23-20/h5-8,13-14H,3-4,9-12H2,1-2H3