N-[2-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-pentyl-4-phenyl-benzamide

Systemtic Name: N-[2-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-pentyl-4-phenyl-benzamide Openeye Name: N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxo-ethyl]-N-pentyl-4-phenyl-benzamide CAS Name: N-[2-[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl-(phenylmethyl)amino]-2-oxoethyl]-N-pentyl-4-phenylbenzamide IUPAC Name: N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-pentyl-4-phenylbenzamide Traditional Name: N-amyl-N-[2-[benzyl-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]amino]-2-keto-ethyl]-4-phenyl-benzamide Formula: C39H40FN3O2 MolecularWeight: 601.752203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C39H40FN3O2/c1-2-3-10-25-42(39(45)35-21-19-34(20-22-35)33-14-8-5-9-15-33)30-38(44)43(28-31-12-6-4-7-13-31)29-37-16-11-26-41(37)27-32-17-23-36(40)24-18-32/h4-9,11-24,26H,2-3,10,25,27-30H2,1H3