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

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C21H23ClN4O3/c1-4-5-12-26-19(22)15(13(2)25-26)10-11-18(27)29-14(3)20-23-17-9-7-6-8-16(17)21(28)24-20/h6-11,14H,4-5,12H2,1-3H3,(H,23,24,28)/b11-10+/t14-/m1/s1