N-(1H-benzimidazol-2-yl)-4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-(1H-benzimidazol-2-yl)-4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-(1H-benzimidazol-2-yl)-4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-(1H-benzimidazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-(1H-benzimidazol-2-yl)-4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butyramide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H21N5O4/c1-29-17-10-13-16(11-18(17)30-2)22-12-26(20(13)28)9-5-8-19(27)25-21-23-14-6-3-4-7-15(14)24-21/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H2,23,24,25,27)