(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C=CC1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-16(23)19(14-22)20(25)15-27-21(26)11-8-17-6-9-18(10-7-17)24-12-4-2-3-5-13-24/h6-11,19,23H,2-5,12-13,15H2,1H3/b11-8+,23-16?