azepan-1-yl-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]methanone Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O/c1-18-11-7-8-14-20(18)22-21(23(27)25-15-9-2-3-10-16-25)17-26(24-22)19-12-5-4-6-13-19/h4-8,11-14,17H,2-3,9-10,15-16H2,1H3