3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H17N3O4/c24-18-14-7-2-1-6-13(14)12-16(21-18)19(25)27-11-5-10-23-17-9-4-3-8-15(17)22-20(23)26/h1-4,6-9,12H,5,10-11H2,(H,21,24)(H,22,26)