2-[(3R)-4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-3-methyl-piperazin-1-yl]-5-fluoranyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3R)-4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-3-methyl-piperazin-1-yl]-5-fluoranyl-pyridine-3-carbonitrile Openeye Name: 2-[(3R)-4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-3-methyl-piperazin-1-yl]-5-fluoro-pyridine-3-carbonitrile CAS Name: 2-[(3R)-4-[(E)-3-(3-cyanophenyl)-1-oxoprop-2-enyl]-3-methyl-1-piperazinyl]-5-fluoro-3-pyridinecarbonitrile IUPAC Name: 2-[(3R)-4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-3-methylpiperazin-1-yl]-5-fluoropyridine-3-carbonitrile Traditional Name: 2-[(3R)-4-[(E)-3-(3-cyanophenyl)acryloyl]-3-methyl-piperazino]-5-fluoro-nicotinonitrile Formula: C21H18FN5O MolecularWeight: 375.398923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C=CC2=CC=CC(=C2)C#N)C3=NC=C(C=C3C#N)F

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)/C=C/C2=CC=CC(=C2)C#N)C3=NC=C(C=C3C#N)F

InChI

InChI=1S/C21H18FN5O/c1-15-14-26(21-18(12-24)10-19(22)13-25-21)7-8-27(15)20(28)6-5-16-3-2-4-17(9-16)11-23/h2-6,9-10,13,15H,7-8,14H2,1H3/b6-5+/t15-/m1/s1