2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one hydrate

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one hydrate Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(3-hydroxyphenyl)quinazolin-4-one hydrate CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxyphenyl)-4-quinazolinone hydrate IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one hydrate Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(3-hydroxyphenyl)quinazolin-4-one hydrate Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)O.O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)O.O

InChI

InChI=1S/C23H16N2O4.H2O/c26-17-5-3-4-16(13-17)25-22(24-19-7-2-1-6-18(19)23(25)27)11-9-15-8-10-20-21(12-15)29-14-28-20;/h1-13,26H,14H2;1H2/b11-9+;