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

Systemtic Name: N-(3-cyano-1-phenethyl-pyrrolidin-3-yl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-yl-methylidene]amino]propanamide Openeye Name: N-(3-cyano-1-phenethyl-pyrrolidin-3-yl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholino-methylene]amino]propanamide CAS Name: N-(3-cyano-1-phenethyl-3-pyrrolidinyl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-(4-morpholinyl)methylidene]amino]propanamide IUPAC Name: N-(3-cyano-1-phenethylpyrrolidin-3-yl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]propanamide Traditional Name: N-(3-cyano-1-phenethyl-pyrrolidin-3-yl)-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholino-methylene]amino]propionamide Formula: C30H45N7O3 MolecularWeight: 551.7234

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=NC(CC1CCCCC1)C(=O)NC2(CCN(C2)CCC3=CC=CC=C3)C#N)N4CCOCC4

Isomeric SMILES

CCNC(=O)NC(=NC(CC1CCCCC1)C(=O)NC2(CCN(C2)CCC3=CC=CC=C3)C#N)N4CCOCC4

InChI

InChI=1S/C30H45N7O3/c1-2-32-29(39)34-28(37-17-19-40-20-18-37)33-26(21-25-11-7-4-8-12-25)27(38)35-30(22-31)14-16-36(23-30)15-13-24-9-5-3-6-10-24/h3,5-6,9-10,25-26H,2,4,7-8,11-21,23H2,1H3,(H,35,38)(H2,32,33,34,39)