N-[bis(azanyl)methylidene]-1-methyl-7-(3-phenylpropanoylamino)indole-2-carboxamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-1-methyl-7-(3-phenylpropanoylamino)indole-2-carboxamide hydrochloride Openeye Name: N-(diaminomethylene)-1-methyl-7-(3-phenylpropanoylamino)indole-2-carboxamide hydrochloride CAS Name: N-(diaminomethylidene)-1-methyl-7-[(1-oxo-3-phenylpropyl)amino]-2-indolecarboxamide hydrochloride IUPAC Name: N-(diaminomethylidene)-1-methyl-7-(3-phenylpropanoylamino)indole-2-carboxamide hydrochloride Traditional Name: N-(diaminomethylene)-7-(hydrocinnamoylamino)-1-methyl-indole-2-carboxamide hydrochloride Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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