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

Systemtic Name: (1,5-dimethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (1,5-dimethylpyrazol-4-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (1,5-dimethyl-4-pyrazolyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1,5-dimethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (1,5-dimethylpyrazol-4-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=NN1C)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C16H22N4OS/c1-13-15(11-17-18(13)2)16(21)20-7-4-6-19(8-9-20)12-14-5-3-10-22-14/h3,5,10-11H,4,6-9,12H2,1-2H3