(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6,8-dimethyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6,8-dimethyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(4-keto-6,8-dimethyl-1H-quinazolin-2-yl)acrylonitrile Formula: C23H18ClN5O MolecularWeight: 415.87492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)N=C(N2)C(=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)N=C(N2)/C(=C/C3=C(N(N=C3C)C4=CC=CC=C4)Cl)/C#N)C

InChI

InChI=1S/C23H18ClN5O/c1-13-9-14(2)20-19(10-13)23(30)27-22(26-20)16(12-25)11-18-15(3)28-29(21(18)24)17-7-5-4-6-8-17/h4-11H,1-3H3,(H,26,27,30)/b16-11+