(5-methyl-1-phenyl-pyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (5-methyl-1-phenyl-4-pyrazolyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (5-methyl-1-phenylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C22H26N4O/c1-17-19(16-23-26(17)18-10-5-3-6-11-18)22(27)25-15-8-4-7-12-21(25)20-13-9-14-24(20)2/h3,5-6,9-11,13-14,16,21H,4,7-8,12,15H2,1-2H3