N-[2-[[1-cyano-3-(4-propylpiperazin-1-yl)propyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[2-[[1-cyano-3-(4-propylpiperazin-1-yl)propyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[2-[[1-cyano-3-(4-propylpiperazin-1-yl)propyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide CAS Name: N-[2-[[[1-cyano-3-(4-propyl-1-piperazinyl)propyl]amino]-oxomethyl]cyclohexyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[2-[[1-cyano-3-(4-propylpiperazin-1-yl)propyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide Traditional Name: N-[2-[[1-cyano-3-(4-propylpiperazino)propyl]carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Formula: C28H40N6O2 MolecularWeight: 492.6562

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCC(C#N)NC(=O)C2CCCCC2NC(=O)C3=CC4=CC=CC=C4N3C

Isomeric SMILES

CCCN1CCN(CC1)CCC(C#N)NC(=O)C2CCCCC2NC(=O)C3=CC4=CC=CC=C4N3C

InChI

InChI=1S/C28H40N6O2/c1-3-13-33-15-17-34(18-16-33)14-12-22(20-29)30-27(35)23-9-5-6-10-24(23)31-28(36)26-19-21-8-4-7-11-25(21)32(26)2/h4,7-8,11,19,22-24H,3,5-6,9-10,12-18H2,1-2H3,(H,30,35)(H,31,36)