1-[2,4-dimethyl-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[2,4-dimethyl-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[2,4-dimethyl-5-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[2,4-dimethyl-5-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[2,4-dimethyl-5-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[2,4-dimethyl-5-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C19H25N3O2S/c1-13-17(15(3)23)14(2)20-18(13)19(24)22-8-5-7-21(9-10-22)12-16-6-4-11-25-16/h4,6,11,20H,5,7-10,12H2,1-3H3