1-(nitromethyl)-2-phenyl-3-(phenylmethoxymethyl)-1H-isoquinoline

Systemtic Name: 1-(nitromethyl)-2-phenyl-3-(phenylmethoxymethyl)-1H-isoquinoline Openeye Name: 3-(benzyloxymethyl)-1-(nitromethyl)-2-phenyl-1H-isoquinoline CAS Name: 1-(nitromethyl)-2-phenyl-3-(phenylmethoxymethyl)-1H-isoquinoline IUPAC Name: 1-(nitromethyl)-2-phenyl-3-(phenylmethoxymethyl)-1H-isoquinoline Traditional Name: 3-(benzoxymethyl)-1-(nitromethyl)-2-phenyl-1H-isoquinoline Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC3=CC=CC=C3C(N2C4=CC=CC=C4)C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC3=CC=CC=C3C(N2C4=CC=CC=C4)C[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O3/c27-25(28)16-24-23-14-8-7-11-20(23)15-22(26(24)21-12-5-2-6-13-21)18-29-17-19-9-3-1-4-10-19/h1-15,24H,16-18H2