(4,5-dimethylfuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4,5-dimethylfuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4,5-dimethyl-2-furyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (4,5-dimethyl-2-furanyl)-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4,5-dimethylfuran-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4,5-dimethyl-2-furyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C17H24N4O2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=NC=CN3C)C

Isomeric SMILES

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=NC=CN3C)C

InChI

InChI=1S/C17H24N4O2/c1-13-11-15(23-14(13)2)17(22)21-7-4-6-20(9-10-21)12-16-18-5-8-19(16)3/h5,8,11H,4,6-7,9-10,12H2,1-3H3