2-[4-[(E)-3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[4-(azepane-1-carbonyl)piperidino]-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCC(CC2)C(=O)N3CCCCCC3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)OCC#N

InChI

InChI=1S/C24H31N3O4/c1-30-22-18-19(6-8-21(22)31-17-12-25)7-9-23(28)26-15-10-20(11-16-26)24(29)27-13-4-2-3-5-14-27/h6-9,18,20H,2-5,10-11,13-17H2,1H3/b9-7+