4-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-(6-chloro-4-oxo-quinazolin-3-yl)acetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-(6-chloro-4-oxo-3-quinazolinyl)-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-(6-chloro-4-keto-quinazolin-3-yl)acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5O3/c22-15-6-7-18-17(12-15)20(29)27(14-23-18)13-19(28)25-8-10-26(11-9-25)21(30)24-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,24,30)