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

Systemtic Name: [4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-(3-pyridyl)methanone CAS Name: [4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]-(3-pyridinyl)methanone IUPAC Name: [4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-(3-pyridyl)methanone Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-20-5-7-21(8-6-20)22-9-10-26-24(16-22)17-25(32-26)19-29-12-3-13-30(15-14-29)27(31)23-4-2-11-28-18-23/h2,4-11,16-18H,3,12-15,19H2,1H3