4-[[8-(4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]naphthalene-1-carbonitrile

Systemtic Name: 4-[[8-(4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]naphthalene-1-carbonitrile Openeye Name: 4-[[8-(4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]naphthalene-1-carbonitrile CAS Name: 4-[[8-(4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[[8-(4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]naphthalene-1-carbonitrile Traditional Name: 4-[[8-(4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]naphthalene-1-carbonitrile Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C5=CC=CC=C45)C#N

Isomeric SMILES

C1CC2CC(CC1N2C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C5=CC=CC=C45)C#N

InChI

InChI=1S/C25H23N3O2/c26-16-19-6-5-18(24-3-1-2-4-25(19)24)13-17-14-22-11-12-23(15-17)27(22)20-7-9-21(10-8-20)28(29)30/h1-10,17,22-23H,11-15H2