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

Systemtic Name: 2-[(3R)-4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-methyl-piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[(3R)-4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-methyl-piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[(3R)-4-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-3-methyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[(3R)-4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[(3R)-4-[(E)-3-(3-chlorophenyl)acryloyl]-3-methyl-piperazino]nicotinonitrile Formula: C20H19ClN4O MolecularWeight: 366.84406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O/c1-15-14-24(20-17(13-22)5-3-9-23-20)10-11-25(15)19(26)8-7-16-4-2-6-18(21)12-16/h2-9,12,15H,10-11,14H2,1H3/b8-7+/t15-/m1/s1