2-[(E)-2-(4-butoxyphenyl)ethenyl]-3-(3-chloranyl-4-methoxy-phenyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-3-(3-chloranyl-4-methoxy-phenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-3-(3-chloro-4-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-3-(3-chloro-4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C27H25ClN2O3/c1-3-4-17-33-21-13-9-19(10-14-21)11-16-26-29-24-8-6-5-7-22(24)27(31)30(26)20-12-15-25(32-2)23(28)18-20/h5-16,18H,3-4,17H2,1-2H3/b16-11+