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

Systemtic Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NNC(=C2)C3CC3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NNC(=C2)C3CC3)CC4=CC=CS4

InChI

InChI=1S/C17H22N4OS/c22-17(16-11-15(18-19-16)13-4-5-13)21-7-2-6-20(8-9-21)12-14-3-1-10-23-14/h1,3,10-11,13H,2,4-9,12H2,(H,18,19)