(phenylmethyl) 2-[4-(4-fluoranylnaphthalen-1-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(4-fluoranylnaphthalen-1-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(4-fluoronaphthalene-1-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(4-fluoro-1-naphthalenyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-fluoronaphthalene-1-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(4-fluoro-1-naphthoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C25H25FN2O3 MolecularWeight: 420.476003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C3=CC=CC=C32)F)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C3=CC=CC=C32)F)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25FN2O3/c26-23-12-11-22(20-9-4-5-10-21(20)23)25(30)28-14-6-13-27(15-16-28)17-24(29)31-18-19-7-2-1-3-8-19/h1-5,7-12H,6,13-18H2