N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-yl-methylidene]amino]propanamide

Systemtic Name: N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-yl-methylidene]amino]propanamide Openeye Name: N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholino-methylene]amino]propanamide CAS Name: N-[3-cyano-1-(1H-indol-3-ylmethyl)-3-pyrrolidinyl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-(4-morpholinyl)methylidene]amino]propanamide IUPAC Name: N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]propanamide Traditional Name: N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholino-methylene]amino]propionamide Formula: C31H44N8O3 MolecularWeight: 576.73286

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=NC(CC1CCCCC1)C(=O)NC2(CCN(C2)CC3=CNC4=CC=CC=C43)C#N)N5CCOCC5

Isomeric SMILES

CCNC(=O)NC(=NC(CC1CCCCC1)C(=O)NC2(CCN(C2)CC3=CNC4=CC=CC=C43)C#N)N5CCOCC5

InChI

InChI=1S/C31H44N8O3/c1-2-33-30(41)36-29(39-14-16-42-17-15-39)35-27(18-23-8-4-3-5-9-23)28(40)37-31(21-32)12-13-38(22-31)20-24-19-34-26-11-7-6-10-25(24)26/h6-7,10-11,19,23,27,34H,2-5,8-9,12-18,20,22H2,1H3,(H,37,40)(H2,33,35,36,41)