(2,5-dimethylfuran-3-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2,5-dimethylfuran-3-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2,5-dimethyl-3-furyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2,5-dimethyl-3-furanyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2,5-dimethylfuran-3-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2,5-dimethyl-3-furyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

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