(E)-1-(azepan-1-yl)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-7-methyl-3-phenyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(6-methoxy-7-methyl-3-phenyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-7-methyl-3-phenyl-benzofuran-5-yl)but-2-en-1-one Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1OC)C(=CC(=O)N3CCCCCC3)C)C(=CO2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1OC)/C(=C/C(=O)N3CCCCCC3)/C)C(=CO2)C4=CC=CC=C4

InChI

InChI=1S/C26H29NO3/c1-18(15-24(28)27-13-9-4-5-10-14-27)21-16-22-23(20-11-7-6-8-12-20)17-30-26(22)19(2)25(21)29-3/h6-8,11-12,15-17H,4-5,9-10,13-14H2,1-3H3/b18-15+