2-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]piperazino]isonicotinonitrile Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CN2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CN2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C18H21N5O/c1-13-9-16(14(2)21-13)17(24)12-22-5-7-23(8-6-22)18-10-15(11-19)3-4-20-18/h3-4,9-10,21H,5-8,12H2,1-2H3