azepan-1-yl-[6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinolin-4-yl]methanone Openeye Name: azepan-1-yl-[6-methyl-2-[5-methyl-1-(p-tolyl)pyrazol-4-yl]-4-quinolyl]methanone CAS Name: 1-azepanyl-[6-methyl-2-[5-methyl-1-(4-methylphenyl)-4-pyrazolyl]-4-quinolinyl]methanone IUPAC Name: azepan-1-yl-[6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinolin-4-yl]methanone Traditional Name: azepan-1-yl-[6-methyl-2-[5-methyl-1-(p-tolyl)pyrazol-4-yl]-4-quinolyl]methanone Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)N5CCCCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)N5CCCCCC5)C

InChI

InChI=1S/C28H30N4O/c1-19-8-11-22(12-9-19)32-21(3)25(18-29-32)27-17-24(23-16-20(2)10-13-26(23)30-27)28(33)31-14-6-4-5-7-15-31/h8-13,16-18H,4-7,14-15H2,1-3H3