methyl 4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-propyl-carbamoyl]benzoate

Systemtic Name: methyl 4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-propyl-carbamoyl]benzoate Openeye Name: methyl 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propyl-carbamoyl]benzoate CAS Name: 4-[[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propylcarbamoyl]benzoate Traditional Name: 4-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl-propyl-carbamoyl]benzoic acid methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20ClN3O4/c1-3-10-25(20(27)13-4-6-14(7-5-13)21(28)29-2)12-18-23-17-11-15(22)8-9-16(17)19(26)24-18/h4-9,11H,3,10,12H2,1-2H3,(H,23,24,26)