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

Systemtic Name: 2-[[(aminocarbonylamino)-morpholin-4-yl-methylidene]amino]-N-[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-propanamide Openeye Name: N-(1-benzyl-3-cyano-pyrrolidin-3-yl)-3-cyclohexyl-2-[[morpholino(ureido)methylene]amino]propanamide CAS Name: 2-[[(carbamoylamino)-(4-morpholinyl)methylidene]amino]-N-[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]-3-cyclohexylpropanamide IUPAC Name: N-(1-benzyl-3-cyanopyrrolidin-3-yl)-2-[[(carbamoylamino)-morpholin-4-ylmethylidene]amino]-3-cyclohexylpropanamide Traditional Name: N-(1-benzyl-3-cyano-pyrrolidin-3-yl)-3-cyclohexyl-2-[[morpholino(ureido)methylene]amino]propionamide Formula: C27H39N7O3 MolecularWeight: 509.64366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)N=C(NC(=O)N)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)N=C(NC(=O)N)N4CCOCC4

InChI

InChI=1S/C27H39N7O3/c28-19-27(11-12-33(20-27)18-22-9-5-2-6-10-22)32-24(35)23(17-21-7-3-1-4-8-21)30-26(31-25(29)36)34-13-15-37-16-14-34/h2,5-6,9-10,21,23H,1,3-4,7-8,11-18,20H2,(H,32,35)(H3,29,30,31,36)