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

Systemtic Name: (1-methylpyrrol-2-yl)-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (1-methylpyrrol-2-yl)-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone CAS Name: (1-methyl-2-pyrrolyl)-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (1-methylpyrrol-2-yl)-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (1-methylpyrrol-2-yl)-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H26N4O2/c1-27-10-3-6-23(27)25(30)29-12-4-11-28(13-14-29)18-22-16-21-15-19(7-8-24(21)31-22)20-5-2-9-26-17-20/h2-3,5-10,15-17H,4,11-14,18H2,1H3