(E)-2-(azepan-1-ylcarbonyl)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(4-benzyloxy-2-bromo-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-(4-benzoxy-2-bromo-5-methoxy-phenyl)acrylonitrile Formula: C24H25BrN2O3 MolecularWeight: 469.3709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)N2CCCCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)N2CCCCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25BrN2O3/c1-29-22-14-19(13-20(16-26)24(28)27-11-7-2-3-8-12-27)21(25)15-23(22)30-17-18-9-5-4-6-10-18/h4-6,9-10,13-15H,2-3,7-8,11-12,17H2,1H3/b20-13+