N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-methyl-indole-2-carboxamide Openeye Name: N-[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-methyl-indole-2-carboxamide CAS Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-methylindole-2-carboxamide Traditional Name: N-[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-methyl-indole-2-carboxamide Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC#N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC#N

InChI

InChI=1S/C23H21N5O2/c1-28-20-9-5-2-6-15(20)13-21(28)23(30)27-19(22(29)25-11-10-24)12-16-14-26-18-8-4-3-7-17(16)18/h2-9,13-14,19,26H,11-12H2,1H3,(H,25,29)(H,27,30)