2-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-1-(2-dimethylaminoethyl)pyrrol-2-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-1-(2-dimethylaminoethyl)pyrrol-2-yl]-1H-quinazolin-4-one Openeye Name: 2-[4-(5-chloro-2-hydroxy-benzoyl)-1-(2-dimethylaminoethyl)pyrrol-2-yl]-1H-quinazolin-4-one CAS Name: 2-[4-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-1-(2-dimethylaminoethyl)-2-pyrrolyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-(5-chloro-2-hydroxybenzoyl)-1-(2-dimethylaminoethyl)pyrrol-2-yl]-1H-quinazolin-4-one Traditional Name: 2-[4-(5-chloro-2-hydroxy-benzoyl)-1-(2-dimethylaminoethyl)pyrrol-2-yl]-1H-quinazolin-4-one Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

CN(C)CCN1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C23H21ClN4O3/c1-27(2)9-10-28-13-14(21(30)17-12-15(24)7-8-20(17)29)11-19(28)22-25-18-6-4-3-5-16(18)23(31)26-22/h3-8,11-13,29H,9-10H2,1-2H3,(H,25,26,31)