N-[2-[[1-cyano-4-(cyclopropylamino)-4-oxidanylidene-butyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[2-[[1-cyano-4-(cyclopropylamino)-4-oxidanylidene-butyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[2-[[1-cyano-4-(cyclopropylamino)-4-oxo-butyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide CAS Name: N-[2-[[[1-cyano-4-(cyclopropylamino)-4-oxobutyl]amino]-oxomethyl]cyclohexyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[2-[[1-cyano-4-(cyclopropylamino)-4-oxobutyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide Traditional Name: N-[2-[[1-cyano-4-(cyclopropylamino)-4-keto-butyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CCC(=O)NC4CC4)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CCC(=O)NC4CC4)C#N

InChI

InChI=1S/C25H31N5O3/c1-30-21-9-5-2-6-16(21)14-22(30)25(33)29-20-8-4-3-7-19(20)24(32)28-18(15-26)12-13-23(31)27-17-10-11-17/h2,5-6,9,14,17-20H,3-4,7-8,10-13H2,1H3,(H,27,31)(H,28,32)(H,29,33)