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

Systemtic Name: 3-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-2-methyl-quinazolin-4-one Openeye Name: 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-2-methyl-quinazolin-4-one CAS Name: 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-2-methyl-4-quinazolinone IUPAC Name: 3-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-2-methylquinazolin-4-one Traditional Name: 3-[[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-2-methyl-quinazolin-4-one Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNN2C(=NC3=CC=CC=C3C2=O)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CNN2C(=NC3=CC=CC=C3C2=O)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5O2/c1-12-17(20(28)26(24-12)15-7-5-6-14(21)10-15)11-22-25-13(2)23-18-9-4-3-8-16(18)19(25)27/h3-11,22H,1-2H3