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

Systemtic Name: azepan-1-yl-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]methanone Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27N3O/c1-15-8-10-18(11-9-15)14-23-17(3)19(16(2)21-23)20(24)22-12-6-4-5-7-13-22/h8-11H,4-7,12-14H2,1-3H3