3-methyl-1-[[(2-methylphenyl)amino]methyl]cyclohepta[c]pyrazol-8-one

Systemtic Name: 3-methyl-1-[[(2-methylphenyl)amino]methyl]cyclohepta[c]pyrazol-8-one Openeye Name: 3-methyl-1-[(2-methylanilino)methyl]cyclohepta[c]pyrazol-8-one CAS Name: 3-methyl-1-[(2-methylanilino)methyl]-8-cyclohepta[c]pyrazolone IUPAC Name: 3-methyl-1-[(2-methylanilino)methyl]cyclohepta[c]pyrazol-8-one Traditional Name: 3-methyl-1-(o-toluidinomethyl)cyclohepta[c]pyrazol-8-one Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCN2C3=C(C=CC=CC3=O)C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1NCN2C3=C(C=CC=CC3=O)C(=N2)C

InChI

InChI=1S/C17H17N3O/c1-12-7-3-5-9-15(12)18-11-20-17-14(13(2)19-20)8-4-6-10-16(17)21/h3-10,18H,11H2,1-2H3