1-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)Cl

InChI

InChI=1S/C22H21ClN4O4/c1-31-19-5-3-15(11-17(19)23)27-12-25-18-10-14(2-4-16(18)22(27)30)21(29)26-8-6-13(7-9-26)20(24)28/h2-5,10-13H,6-9H2,1H3,(H2,24,28)