[4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[2-morpholinoethyl(o-tolylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(2-methylphenyl)methyl-[2-(4-morpholinyl)ethyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(2-methylbenzyl)-(2-morpholinoethyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C28H39N5O3S MolecularWeight: 525.70596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCN2CCOCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CCN2CCOCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

InChI

InChI=1S/C28H39N5O3S/c1-22-5-2-3-6-23(22)20-32(13-12-30-14-16-36-17-15-30)24-19-25(27(34)31-10-8-29-9-11-31)33(21-24)28(35)26-7-4-18-37-26/h2-7,18,24-25,29H,8-17,19-21H2,1H3