1,4-diazepan-1-yl-[1-(4-fluorophenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[1-(4-fluorophenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[1-(4-fluorobenzoyl)-4-[o-tolylmethyl(phenethyl)amino]pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[1-[(4-fluorophenyl)-oxomethyl]-4-[(2-methylphenyl)methyl-phenethylamino]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[1-(4-fluorobenzoyl)-4-[(2-methylphenyl)methyl-phenethylamino]pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[1-(4-fluorobenzoyl)-4-[(2-methylbenzyl)-phenethyl-amino]pyrrolidin-2-yl]methanone Formula: C33H39FN4O2 MolecularWeight: 542.686763

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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=C(C=C4)F)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)F)C(=O)N5CCCNCC5

InChI

InChI=1S/C33H39FN4O2/c1-25-8-5-6-11-28(25)23-37(20-16-26-9-3-2-4-10-26)30-22-31(33(40)36-19-7-17-35-18-21-36)38(24-30)32(39)27-12-14-29(34)15-13-27/h2-6,8-15,30-31,35H,7,16-24H2,1H3