(4,5-dimethylfuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4,5-dimethylfuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4,5-dimethyl-2-furyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4,5-dimethyl-2-furanyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4,5-dimethylfuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4,5-dimethyl-2-furyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3)C

InChI

InChI=1S/C18H23N3O2/c1-14-12-17(23-15(14)2)18(22)21-9-5-8-20(10-11-21)13-16-6-3-4-7-19-16/h3-4,6-7,12H,5,8-11,13H2,1-2H3