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

Systemtic Name: [4-[(2-methylphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[o-tolylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(2-methylbenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCNCC5

InChI

InChI=1S/C30H36N4O2S/c1-23-8-5-6-11-25(23)21-33(16-13-24-9-3-2-4-10-24)26-20-27(29(35)32-17-14-31-15-18-32)34(22-26)30(36)28-12-7-19-37-28/h2-12,19,26-27,31H,13-18,20-22H2,1H3