5-chloranyl-N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-5-chloro-thiophene-2-carboxamide CAS Name: 5-chloro-N-[1-[[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-5-chlorothiophene-2-carboxamide Traditional Name: N-[2-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-5-chloro-thiophene-2-carboxamide Formula: C26H31ClN4O2S MolecularWeight: 499.06794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C26H31ClN4O2S/c27-23-12-11-22(34-23)25(33)29-21(15-19-7-3-1-4-8-19)24(32)30-26(17-28)13-14-31(18-26)16-20-9-5-2-6-10-20/h2,5-6,9-12,19,21H,1,3-4,7-8,13-16,18H2,(H,29,33)(H,30,32)