azepan-1-yl-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[3-methyl-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)N3CCCCCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)N3CCCCCC3)N4C=CC=C4

InChI

InChI=1S/C22H26N4O/c1-17-9-11-19(12-10-17)26-21(24-13-7-8-14-24)20(18(2)23-26)22(27)25-15-5-3-4-6-16-25/h7-14H,3-6,15-16H2,1-2H3