3-[(E)-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[(E)-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-2-methyl-quinazolin-4-one Openeye Name: 3-[(E)-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-2-methyl-quinazolin-4-one CAS Name: 3-[(E)-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-2-methyl-4-quinazolinone IUPAC Name: 3-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2-methylquinazolin-4-one Traditional Name: 3-[(E)-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-2-methyl-quinazolin-4-one Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2C(=NC3=CC=CC=C3C2=O)C)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/N2C(=NC3=CC=CC=C3C2=O)C)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5O/c1-14-18(20(22)26(25-14)13-16-8-4-3-5-9-16)12-23-27-15(2)24-19-11-7-6-10-17(19)21(27)28/h3-12H,13H2,1-2H3/b23-12+