methyl (E)-3-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-(azepane-1-carbonyl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[1-azepanyl(oxo)methyl]anilino]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(azepane-1-carbonyl)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-(azepane-1-carbonyl)anilino]-2-cyano-acrylic acid methyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=CC=C(C=C1)C(=O)N2CCCCCC2)C#N

Isomeric SMILES

COC(=O)/C(=C/NC1=CC=C(C=C1)C(=O)N2CCCCCC2)/C#N

InChI

InChI=1S/C18H21N3O3/c1-24-18(23)15(12-19)13-20-16-8-6-14(7-9-16)17(22)21-10-4-2-3-5-11-21/h6-9,13,20H,2-5,10-11H2,1H3/b15-13+