2-[(E)-3-(4-cycloheptylcarbonylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-(4-cycloheptylcarbonylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-[4-(cycloheptanecarbonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-[4-[cycloheptyl(oxo)methyl]-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-[4-(cycloheptanecarbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-[4-(cycloheptanecarbonyl)piperazino]-3-keto-prop-1-enyl]benzonitrile Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CCCC(CC1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C22H27N3O2/c23-17-20-10-6-5-7-18(20)11-12-21(26)24-13-15-25(16-14-24)22(27)19-8-3-1-2-4-9-19/h5-7,10-12,19H,1-4,8-9,13-16H2/b12-11+