[4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[cyclohexylmethyl(2-thienylmethyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[cyclohexylmethyl(2-thenyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C29H40N4O2S MolecularWeight: 508.7185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4CCCCC4)CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4CCCCC4)CC5=CC=CS5

InChI

InChI=1S/C29H40N4O2S/c1-22-9-11-24(12-10-22)28(34)33-20-25(18-27(33)29(35)31-15-13-30-14-16-31)32(21-26-8-5-17-36-26)19-23-6-3-2-4-7-23/h5,8-12,17,23,25,27,30H,2-4,6-7,13-16,18-21H2,1H3