N-[2-[[2-(4-aminophenyl)-1-cyano-ethyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[2-[[2-(4-aminophenyl)-1-cyano-ethyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[2-[[2-(4-aminophenyl)-1-cyano-ethyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide CAS Name: N-[2-[[[2-(4-aminophenyl)-1-cyanoethyl]amino]-oxomethyl]cyclohexyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[2-[[2-(4-aminophenyl)-1-cyanoethyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide Traditional Name: N-[2-[[2-(4-aminophenyl)-1-cyano-ethyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CC4=CC=C(C=C4)N)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CC4=CC=C(C=C4)N)C#N

InChI

InChI=1S/C26H29N5O2/c1-31-23-9-5-2-6-18(23)15-24(31)26(33)30-22-8-4-3-7-21(22)25(32)29-20(16-27)14-17-10-12-19(28)13-11-17/h2,5-6,9-13,15,20-22H,3-4,7-8,14,28H2,1H3,(H,29,32)(H,30,33)