N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(4-fluorobenzyl)-m-anisyl-amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C27H31FN4O3S MolecularWeight: 510.623443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCCN

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCCN

InChI

InChI=1S/C27H31FN4O3S/c1-35-23-5-2-4-20(14-23)17-31(16-19-7-9-21(28)10-8-19)22-15-24(26(33)30-12-11-29)32(18-22)27(34)25-6-3-13-36-25/h2-10,13-14,22,24H,11-12,15-18,29H2,1H3,(H,30,33)