2-[(3R)-3-methyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[(3R)-3-methyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[(3R)-3-methyl-4-[(E)-3-(m-tolyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[(3R)-3-methyl-4-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[(3R)-3-methyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[(3R)-3-methyl-4-[(E)-3-(m-tolyl)acryloyl]piperazino]nicotinonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C=CC2=CC(=CC=C2)C)C3=C(C=CC=N3)C#N

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)/C=C/C2=CC(=CC=C2)C)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C21H22N4O/c1-16-5-3-6-18(13-16)8-9-20(26)25-12-11-24(15-17(25)2)21-19(14-22)7-4-10-23-21/h3-10,13,17H,11-12,15H2,1-2H3/b9-8+/t17-/m1/s1