4-[[4-[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]piperazino]methyl]benzonitrile Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27N5O/c1-18-13-22(19(2)30(18)24-7-8-24)14-23(16-27)25(31)29-11-9-28(10-12-29)17-21-5-3-20(15-26)4-6-21/h3-6,13-14,24H,7-12,17H2,1-2H3/b23-14+