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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

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