(3-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-methylbenzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-methylbenzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=NC=CN4C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=NC=CN4C

InChI

InChI=1S/C20H24N4O2/c1-15-16-6-3-4-7-17(16)26-19(15)20(25)24-10-5-9-23(12-13-24)14-18-21-8-11-22(18)2/h3-4,6-8,11H,5,9-10,12-14H2,1-2H3