2-[1-butan-2-yl-4-(2-hydroxyphenyl)carbonyl-pyrrol-2-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-butan-2-yl-4-(2-hydroxyphenyl)carbonyl-pyrrol-2-yl]-1H-quinazolin-4-one Openeye Name: 2-[4-(2-hydroxybenzoyl)-1-sec-butyl-pyrrol-2-yl]-1H-quinazolin-4-one CAS Name: 2-[1-butan-2-yl-4-[(2-hydroxyphenyl)-oxomethyl]-2-pyrrolyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-butan-2-yl-4-(2-hydroxybenzoyl)pyrrol-2-yl]-1H-quinazolin-4-one Traditional Name: 2-(4-salicyloyl-1-sec-butyl-pyrrol-2-yl)-1H-quinazolin-4-one Formula: C23H21N3O3 MolecularWeight: 387.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4O

Isomeric SMILES

CCC(C)N1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4O

InChI

InChI=1S/C23H21N3O3/c1-3-14(2)26-13-15(21(28)17-9-5-7-11-20(17)27)12-19(26)22-24-18-10-6-4-8-16(18)23(29)25-22/h4-14,27H,3H2,1-2H3,(H,24,25,29)