2-[3-[1-[[N-cyano-N'-(2-piperidin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-N,N-diethyl-2-methyl-propanamide

Systemtic Name: 2-[3-[1-[[N-cyano-N'-(2-piperidin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-N,N-diethyl-2-methyl-propanamide Openeye Name: 2-[3-[1-[[N-cyano-N'-[2-(2-piperidyl)ethyl]carbamimidoyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-N,N-diethyl-2-methyl-propanamide CAS Name: 2-[3-[1-[[(cyanoamino)-[2-(2-piperidinyl)ethylimino]methyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-N,N-diethyl-2-methylpropanamide IUPAC Name: 2-[3-[1-[[N-cyano-N'-(2-piperidin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-N,N-diethyl-2-methylpropanamide Traditional Name: 2-[3-[1-[[N-cyano-N'-[2-(2-piperidyl)ethyl]amidino]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-N,N-diethyl-2-methyl-propionamide Formula: C35H49N7O MolecularWeight: 583.80986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)(C)C1=CC2=C(C=C1)NC(=C2C(C)NC(=NCCC3CCCCN3)NC#N)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCN(CC)C(=O)C(C)(C)C1=CC2=C(C=C1)NC(=C2C(C)NC(=NCCC3CCCCN3)NC#N)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C35H49N7O/c1-8-42(9-2)33(43)35(6,7)27-13-14-30-29(21-27)31(32(41-30)26-19-23(3)18-24(4)20-26)25(5)40-34(39-22-36)38-17-15-28-12-10-11-16-37-28/h13-14,18-21,25,28,37,41H,8-12,15-17H2,1-7H3,(H2,38,39,40)