3-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one

Systemtic Name: 3-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one Openeye Name: 3-[[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one CAS Name: 3-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]-2-(phenoxymethyl)-4-quinazolinone IUPAC Name: 3-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one Traditional Name: 3-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNN3C(=NC4=CC=CC=C4C3=O)COC5=CC=CC=C5)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNN3C(=NC4=CC=CC=C4C3=O)COC5=CC=CC=C5)C(=N2)C

InChI

InChI=1S/C27H23N5O3/c1-18-12-14-20(15-13-18)31-27(34)23(19(2)30-31)16-28-32-25(17-35-21-8-4-3-5-9-21)29-24-11-7-6-10-22(24)26(32)33/h3-16,28H,17H2,1-2H3