[4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(3-methoxyphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(3-methoxyphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[cyclohexylmethyl(2-thienylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-[(3-methoxyphenyl)-oxomethyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[cyclohexylmethyl(2-thenyl)amino]-1-m-anisoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C29H40N4O3S MolecularWeight: 524.7179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4CCCCC4)CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4CCCCC4)CC5=CC=CS5

InChI

InChI=1S/C29H40N4O3S/c1-36-25-10-5-9-23(17-25)28(34)33-20-24(18-27(33)29(35)31-14-12-30-13-15-31)32(21-26-11-6-16-37-26)19-22-7-3-2-4-8-22/h5-6,9-11,16-17,22,24,27,30H,2-4,7-8,12-15,18-21H2,1H3