(E)-3-(3-azanyl-4-methoxy-phenyl)-1-(azepan-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-azanyl-4-methoxy-phenyl)-1-(azepan-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-amino-4-methoxy-phenyl)-1-(azepan-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-amino-4-methoxyphenyl)-1-(1-azepanyl)-2-propen-1-one IUPAC Name: (E)-3-(3-amino-4-methoxyphenyl)-1-(azepan-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-amino-4-methoxy-phenyl)-1-(azepan-1-yl)prop-2-en-1-one Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCCCCC2)N

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCCCCC2)N

InChI

InChI=1S/C16H22N2O2/c1-20-15-8-6-13(12-14(15)17)7-9-16(19)18-10-4-2-3-5-11-18/h6-9,12H,2-5,10-11,17H2,1H3/b9-7+