(3-methoxyphenyl)-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-32-24-7-2-5-21(16-24)27(31)30-12-4-11-29(13-14-30)19-25-17-23-15-20(8-9-26(23)33-25)22-6-3-10-28-18-22/h2-3,5-10,15-18H,4,11-14,19H2,1H3