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

Systemtic Name: azepan-1-yl-[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Formula: C21H24N4O MolecularWeight: 348.44146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-17-8-10-18(11-9-17)25-20(23-12-6-7-13-23)19(16-22-25)21(26)24-14-4-2-3-5-15-24/h6-13,16H,2-5,14-15H2,1H3