(E)-1-[4-(azepan-1-yl)phenyl]-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanyl)phenyl]-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)prop-2-en-1-one Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)N3CCCCCC3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)N3CCCCCC3)Cl)O

InChI

InChI=1S/C22H24ClNO3/c1-27-21-15-16(14-19(23)22(21)26)6-11-20(25)17-7-9-18(10-8-17)24-12-4-2-3-5-13-24/h6-11,14-15,26H,2-5,12-13H2,1H3/b11-6+