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

Systemtic Name: (4,5-dimethylfuran-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4,5-dimethyl-2-furyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4,5-dimethyl-2-furanyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4,5-dimethylfuran-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4,5-dimethyl-2-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=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=CSC=C3)C

Isomeric SMILES

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=CSC=C3)C

InChI

InChI=1S/C17H22N2O2S/c1-13-10-16(21-14(13)2)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