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

Systemtic Name: (2,5-dimethylfuran-3-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2,5-dimethyl-3-furyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2,5-dimethyl-3-furanyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2,5-dimethylfuran-3-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2,5-dimethyl-3-furyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-13-10-16(14(2)21-13)17(20)19-6-3-5-18(7-8-19)11-15-4-9-22-12-15/h4,9-10,12H,3,5-8,11H2,1-2H3