N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(8-methyl-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-2-(8-methyl-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-2-(4-keto-8-methyl-quinazolin-3-yl)acetamide Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

InChI

InChI=1S/C21H20ClN5O3/c1-13-3-2-4-15-20(13)24-12-27(21(15)30)11-19(29)25-14-5-6-17(16(22)9-14)26-8-7-23-18(28)10-26/h2-6,9,12H,7-8,10-11H2,1H3,(H,23,28)(H,25,29)