3-(4-methylphenyl)-N-(2-oxidanylideneazepan-3-yl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-(2-oxidanylideneazepan-3-yl)-1H-pyrazole-5-carboxamide Openeye Name: N-(2-oxoazepan-3-yl)-3-(p-tolyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-methylphenyl)-N-(2-oxo-3-azepanyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)-1H-pyrazole-5-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-3-(p-tolyl)-1H-pyrazole-5-carboxamide Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3CCCCNC3=O

InChI

InChI=1S/C17H20N4O2/c1-11-5-7-12(8-6-11)14-10-15(21-20-14)17(23)19-13-4-2-3-9-18-16(13)22/h5-8,10,13H,2-4,9H2,1H3,(H,18,22)(H,19,23)(H,20,21)