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

Systemtic Name: 2-[[(aminocarbonylamino)-morpholin-4-yl-methylidene]amino]-N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-propanamide Openeye Name: N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[morpholino(ureido)methylene]amino]propanamide CAS Name: 2-[[(carbamoylamino)-(4-morpholinyl)methylidene]amino]-N-[3-cyano-1-(1H-indol-3-ylmethyl)-3-pyrrolidinyl]-3-cyclohexylpropanamide IUPAC Name: 2-[[(carbamoylamino)-morpholin-4-ylmethylidene]amino]-N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide Traditional Name: N-[3-cyano-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[morpholino(ureido)methylene]amino]propionamide Formula: C29H40N8O3 MolecularWeight: 548.6797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CNC4=CC=CC=C43)C#N)N=C(NC(=O)N)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CNC4=CC=CC=C43)C#N)N=C(NC(=O)N)N5CCOCC5

InChI

InChI=1S/C29H40N8O3/c30-19-29(10-11-36(20-29)18-22-17-32-24-9-5-4-8-23(22)24)35-26(38)25(16-21-6-2-1-3-7-21)33-28(34-27(31)39)37-12-14-40-15-13-37/h4-5,8-9,17,21,25,32H,1-3,6-7,10-16,18,20H2,(H,35,38)(H3,31,33,34,39)