2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

Systemtic Name: 2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: 2-(4-guanidinobenzoyl)-3,4-dihydro-1H-isoquinoline-7-carbohydroxamic acid CAS Name: 2-[[4-(diaminomethylideneamino)phenyl]-oxomethyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: 2-[4-(diaminomethylideneamino)benzoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: 2-(4-guanidinobenzoyl)-3,4-dihydro-1H-isoquinoline-7-carbohydroxamic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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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)N=C(N)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)C(=O)NO)C(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C18H19N5O3/c19-18(20)21-15-5-3-12(4-6-15)17(25)23-8-7-11-1-2-13(16(24)22-26)9-14(11)10-23/h1-6,9,26H,7-8,10H2,(H,22,24)(H4,19,20,21)