2-(4-imidazol-1-ylphenyl)carbonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

Systemtic Name: 2-(4-imidazol-1-ylphenyl)carbonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: 2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carbohydroxamic acid CAS Name: N-hydroxy-2-[[4-(1-imidazolyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: 2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carbohydroxamic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)C(=O)NO)C(=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)C(=O)NO)C(=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C20H18N4O3/c25-19(22-27)16-2-1-14-7-9-23(12-17(14)11-16)20(26)15-3-5-18(6-4-15)24-10-8-21-13-24/h1-6,8,10-11,13,27H,7,9,12H2,(H,22,25)