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

Systemtic Name: 3-bromanyl-N-(3-ethoxypropyl)-N-[2-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxo-ethyl]-3-bromo-N-(3-ethoxypropyl)benzamide CAS Name: 3-bromo-N-(3-ethoxypropyl)-N-[2-[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl-(phenylmethyl)amino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3-bromo-N-(3-ethoxypropyl)benzamide Traditional Name: N-[2-[benzyl-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]amino]-2-keto-ethyl]-3-bromo-N-(3-ethoxypropyl)benzamide Formula: C33H35BrFN3O3 MolecularWeight: 620.551703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H35BrFN3O3/c1-2-41-20-8-19-37(33(40)28-11-6-12-29(34)21-28)25-32(39)38(23-26-9-4-3-5-10-26)24-31-13-7-18-36(31)22-27-14-16-30(35)17-15-27/h3-7,9-18,21H,2,8,19-20,22-25H2,1H3