(3S)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2,3-dihydrophenalen-1-one

Systemtic Name: (3S)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2,3-dihydrophenalen-1-one Openeye Name: (3S)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-2,3-dihydrophenalen-1-one CAS Name: (3S)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2,3-dihydrophenalen-1-one IUPAC Name: (3S)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydrophenalen-1-one Traditional Name: (3S)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-2,3-dihydrophenalen-1-one Formula: C29H22N2O MolecularWeight: 414.49778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=O)C4=CC=CC5=C4C3=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2[C@H]3CC(=O)C4=CC=CC5=C4C3=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H22N2O/c1-19-13-15-21(16-14-19)29-26(18-31(30-29)22-9-3-2-4-10-22)25-17-27(32)24-12-6-8-20-7-5-11-23(25)28(20)24/h2-16,18,25H,17H2,1H3/t25-/m0/s1