1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(3-methoxyphenyl)carbonyl-pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(3-methoxyphenyl)carbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethylamino]-1-[(3-methoxyphenyl)-oxomethyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-fluorophenyl)methyl-phenethylamino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(4-fluorobenzyl)-phenethyl-amino]-1-m-anisoyl-pyrrolidin-2-yl]methanone Formula: C33H39FN4O3 MolecularWeight: 558.686163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C33H39FN4O3/c1-41-30-10-5-9-27(21-30)32(39)38-24-29(22-31(38)33(40)36-18-6-16-35-17-20-36)37(19-15-25-7-3-2-4-8-25)23-26-11-13-28(34)14-12-26/h2-5,7-14,21,29,31,35H,6,15-20,22-24H2,1H3