4-naphthalen-1-yloxy-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-naphthalen-1-yloxy-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-(1-naphthyloxy)-1-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-(1-naphthalenyloxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-naphthalen-1-yloxy-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-(1-naphthoxy)-1-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]butan-1-one Formula: C25H26F3N3O2 MolecularWeight: 457.48805

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCOC2=CC=CC3=CC=CC=C32)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCOC2=CC=CC3=CC=CC=C32)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H26F3N3O2/c26-25(27,28)20-11-12-23(29-18-20)30-13-5-14-31(16-15-30)24(32)10-4-17-33-22-9-3-7-19-6-1-2-8-21(19)22/h1-3,6-9,11-12,18H,4-5,10,13-17H2