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

Systemtic Name: 4-[(E)-3-(azepan-1-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(azepan-1-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-(1-azepanyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-(azepan-1-yl)-3-keto-prop-1-enyl]benzonitrile Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H18N2O/c17-13-15-7-5-14(6-8-15)9-10-16(19)18-11-3-1-2-4-12-18/h5-10H,1-4,11-12H2/b10-9+