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

Systemtic Name: 3-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-2-propyl-quinazolin-4-one Openeye Name: 3-[[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methylamino]-2-propyl-quinazolin-4-one CAS Name: 3-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]-2-propyl-4-quinazolinone IUPAC Name: 3-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methylamino]-2-propylquinazolin-4-one Traditional Name: 3-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methylamino]-2-propyl-quinazolin-4-one Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=O)N1NC=C3C(=NN(C3=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=O)N1NC=C3C(=NN(C3=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C23H23N5O2/c1-4-7-21-25-20-9-6-5-8-18(20)22(29)28(21)24-14-19-16(3)26-27(23(19)30)17-12-10-15(2)11-13-17/h5-6,8-14,24H,4,7H2,1-3H3