N-[(E)-3-(azepan-1-yl)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(E)-3-(azepan-1-yl)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(3-pyridyl)vinyl]-3,4-dimethoxy-benzamide CAS Name: N-[(E)-3-(1-azepanyl)-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(3-pyridyl)vinyl]-3,4-dimethoxy-benzamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=CC2=CN=CC=C2)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H27N3O4/c1-29-20-10-9-18(15-21(20)30-2)22(27)25-19(14-17-8-7-11-24-16-17)23(28)26-12-5-3-4-6-13-26/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,25,27)/b19-14+