N-[bis(azanyl)methylidene]-5-chloranyl-1-(pyridin-4-ylmethyl)indole-2-carboxamide dihydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-5-chloranyl-1-(pyridin-4-ylmethyl)indole-2-carboxamide dihydrochloride Openeye Name: 5-chloro-N-(diaminomethylene)-1-(4-pyridylmethyl)indole-2-carboxamide dihydrochloride CAS Name: 5-chloro-N-(diaminomethylidene)-1-(pyridin-4-ylmethyl)-2-indolecarboxamide dihydrochloride IUPAC Name: 5-chloro-N-(diaminomethylidene)-1-(pyridin-4-ylmethyl)indole-2-carboxamide dihydrochloride Traditional Name: 5-chloro-N-(diaminomethylene)-1-(4-pyridylmethyl)indole-2-carboxamide dihydrochloride Formula: C16H16Cl3N5O MolecularWeight: 400.69014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C=C(N2CC3=CC=NC=C3)C(=O)N=C(N)N.Cl.Cl

Isomeric SMILES

C1=CC2=C(C=C1Cl)C=C(N2CC3=CC=NC=C3)C(=O)N=C(N)N.Cl.Cl

InChI

InChI=1S/C16H14ClN5O.2ClH/c17-12-1-2-13-11(7-12)8-14(15(23)21-16(18)19)22(13)9-10-3-5-20-6-4-10;;/h1-8H,9H2,(H4,18,19,21,23);2*1H