3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-4-oxo-N-(3-pyridylmethyl)quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(3-pyridinylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-(3-pyridylmethyl)quinazoline-7-carboxamide Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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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)NCC4=CN=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C22H17ClN4O3/c1-30-20-7-5-16(10-18(20)23)27-13-26-19-9-15(4-6-17(19)22(27)29)21(28)25-12-14-3-2-8-24-11-14/h2-11,13H,12H2,1H3,(H,25,28)