N-[bis(azanyl)methylidene]-1-isoquinolin-1-yl-4-methyl-pyrrole-3-carboxamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-1-isoquinolin-1-yl-4-methyl-pyrrole-3-carboxamide hydrochloride Openeye Name: N-(diaminomethylene)-1-(1-isoquinolyl)-4-methyl-pyrrole-3-carboxamide hydrochloride CAS Name: N-(diaminomethylidene)-1-(1-isoquinolinyl)-4-methyl-3-pyrrolecarboxamide hydrochloride IUPAC Name: N-(diaminomethylidene)-1-isoquinolin-1-yl-4-methylpyrrole-3-carboxamide hydrochloride Traditional Name: N-(diaminomethylene)-1-(1-isoquinolyl)-4-methyl-pyrrole-3-carboxamide hydrochloride Formula: C16H16ClN5O MolecularWeight: 329.78414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=C1C(=O)N=C(N)N)C2=NC=CC3=CC=CC=C32.Cl

Isomeric SMILES

CC1=CN(C=C1C(=O)N=C(N)N)C2=NC=CC3=CC=CC=C32.Cl

InChI

InChI=1S/C16H15N5O.ClH/c1-10-8-21(9-13(10)15(22)20-16(17)18)14-12-5-3-2-4-11(12)6-7-19-14;/h2-9H,1H3,(H4,17,18,20,22);1H