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

Systemtic Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CC5=CN=CC=C5

InChI

InChI=1S/C27H29N3O2/c1-31-27-8-3-2-7-25(27)22-9-10-26-23(16-22)17-24(32-26)20-30-13-5-12-29(14-15-30)19-21-6-4-11-28-18-21/h2-4,6-11,16-18H,5,12-15,19-20H2,1H3