1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C24H21ClN4O3 MolecularWeight: 448.90154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4O3/c1-15-18(22(25)29(28-15)14-17-8-4-3-5-9-17)12-13-21(30)32-16(2)23-26-20-11-7-6-10-19(20)24(31)27-23/h3-13,16H,14H2,1-2H3,(H,26,27,31)/b13-12+