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

Systemtic Name: [4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[cyclohexylmethyl(m-anisyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C29H40N4O3S MolecularWeight: 524.7179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2CCCCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2CCCCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

InChI

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