3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)Cl)O

InChI

InChI=1S/C23H19ClN2O5/c1-29-20-10-14(9-16(24)21(20)27)22-25-17-5-3-2-4-15(17)23(28)26(22)11-13-6-7-18-19(8-13)31-12-30-18/h2-10,22,25,27H,11-12H2,1H3