N-[bis(azanyl)methylidene]-1-methyl-6-(3-phenylpropanoylamino)indole-2-carboxamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-1-methyl-6-(3-phenylpropanoylamino)indole-2-carboxamide hydrochloride Openeye Name: N-(diaminomethylene)-1-methyl-6-(3-phenylpropanoylamino)indole-2-carboxamide hydrochloride CAS Name: N-(diaminomethylidene)-1-methyl-6-[(1-oxo-3-phenylpropyl)amino]-2-indolecarboxamide hydrochloride IUPAC Name: N-(diaminomethylidene)-1-methyl-6-(3-phenylpropanoylamino)indole-2-carboxamide hydrochloride Traditional Name: N-(diaminomethylene)-6-(hydrocinnamoylamino)-1-methyl-indole-2-carboxamide hydrochloride Formula: C20H22ClN5O2 MolecularWeight: 399.87398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)N=C(N)N.Cl

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)N=C(N)N.Cl

InChI

InChI=1S/C20H21N5O2.ClH/c1-25-16-12-15(23-18(26)10-7-13-5-3-2-4-6-13)9-8-14(16)11-17(25)19(27)24-20(21)22;/h2-6,8-9,11-12H,7,10H2,1H3,(H,23,26)(H4,21,22,24,27);1H