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

Systemtic Name: (1,5-dimethylpyrazol-3-yl)-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (1,5-dimethylpyrazol-3-yl)-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone CAS Name: (1,5-dimethyl-3-pyrazolyl)-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (1,5-dimethylpyrazol-3-yl)-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (1,5-dimethylpyrazol-3-yl)-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H27N5O2/c1-18-13-23(27-28(18)2)25(31)30-10-4-9-29(11-12-30)17-22-15-21-14-19(6-7-24(21)32-22)20-5-3-8-26-16-20/h3,5-8,13-16H,4,9-12,17H2,1-2H3