N-[bis(azanyl)methylidene]-2-[(4-chlorophenyl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-[(4-chlorophenyl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-[(4-chlorophenyl)methyl]-N-(diaminomethylene)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-[(4-chlorophenyl)methyl]-N-(diaminomethylidene)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methyl]-N-(diaminomethylidene)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(4-chlorobenzyl)-N-(diaminomethylene)-1-keto-isoquinoline-4-carboxamide Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CC=C(C=C3)Cl)C(=O)N=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CC=C(C=C3)Cl)C(=O)N=C(N)N

InChI

InChI=1S/C18H15ClN4O2/c19-12-7-5-11(6-8-12)9-23-10-15(16(24)22-18(20)21)13-3-1-2-4-14(13)17(23)25/h1-8,10H,9H2,(H4,20,21,22,24)