[4-[cyclohexylmethyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C29H40N4O2S MolecularWeight: 508.7185

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

Isomeric SMILES

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

InChI

InChI=1S/C29H40N4O2S/c34-28(31-17-14-30-15-18-31)26-20-25(22-33(26)29(35)27-12-7-19-36-27)32(21-24-10-5-2-6-11-24)16-13-23-8-3-1-4-9-23/h1,3-4,7-9,12,19,24-26,30H,2,5-6,10-11,13-18,20-22H2