N-[2-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxo-ethyl]-N-(3-methoxypropyl)-3-(trifluoromethyl)benzamide CAS Name: N-[2-[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl-(phenylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[benzyl-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]amino]-2-keto-ethyl]-N-(3-methoxypropyl)-3-(trifluoromethyl)benzamide Formula: C33H33F4N3O3 MolecularWeight: 595.627033

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C33H33F4N3O3/c1-43-19-7-18-39(32(42)27-10-5-11-28(20-27)33(35,36)37)24-31(41)40(22-25-8-3-2-4-9-25)23-30-12-6-17-38(30)21-26-13-15-29(34)16-14-26/h2-6,8-17,20H,7,18-19,21-24H2,1H3