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

Systemtic Name: [4-[(4-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: piperazin-1-yl-[4-[p-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-methylbenzyl)-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C27H36N4O3S MolecularWeight: 496.66474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2CCCO2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2CCCO2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

InChI

InChI=1S/C27H36N4O3S/c1-20-6-8-21(9-7-20)17-30(19-23-4-2-14-34-23)22-16-24(26(32)29-12-10-28-11-13-29)31(18-22)27(33)25-5-3-15-35-25/h3,5-9,15,22-24,28H,2,4,10-14,16-19H2,1H3