[2-[(E)-(4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(E)-(4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(E)-(2-isopropyl-4-oxo-quinazolin-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(E)-(4-oxo-2-propan-2-yl-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-[(E)-(4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(E)-(2-isopropyl-4-keto-quinazolin-3-yl)iminomethyl]phenyl] ester Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=C3OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=CC=C3OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O5/c1-16(2)24-28-20-9-5-4-8-19(20)25(30)29(24)27-14-18-7-3-6-10-21(18)34-26(31)17-11-12-22-23(13-17)33-15-32-22/h3-14,16H,15H2,1-2H3/b27-14+