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

Systemtic Name: N-[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-yl-methylidene]amino]propanamide Openeye Name: N-(1-benzyl-3-cyano-pyrrolidin-3-yl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholino-methylene]amino]propanamide CAS Name: N-[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-(4-morpholinyl)methylidene]amino]propanamide IUPAC Name: N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]propanamide Traditional Name: N-(1-benzyl-3-cyano-pyrrolidin-3-yl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholino-methylene]amino]propionamide Formula: C29H43N7O3 MolecularWeight: 537.69682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=NC(CC1CCCCC1)C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)N4CCOCC4

Isomeric SMILES

CCNC(=O)NC(=NC(CC1CCCCC1)C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)N4CCOCC4

InChI

InChI=1S/C29H43N7O3/c1-2-31-28(38)33-27(36-15-17-39-18-16-36)32-25(19-23-9-5-3-6-10-23)26(37)34-29(21-30)13-14-35(22-29)20-24-11-7-4-8-12-24/h4,7-8,11-12,23,25H,2-3,5-6,9-10,13-20,22H2,1H3,(H,34,37)(H2,31,32,33,38)