(2S)-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-(3-chloranylphenoxy)-N-propyl-propanamide

Systemtic Name: (2S)-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-(3-chloranylphenoxy)-N-propyl-propanamide Openeye Name: (2S)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-propyl-propanamide CAS Name: (2S)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-propylpropanamide IUPAC Name: (2S)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-propylpropanamide Traditional Name: (2S)-N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-propyl-propionamide Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C(C)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)[C@H](C)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21Cl2N3O3/c1-3-9-26(21(28)13(2)29-16-6-4-5-14(22)10-16)12-19-24-18-11-15(23)7-8-17(18)20(27)25-19/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,24,25,27)/t13-/m0/s1