(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzyl-1-piperidyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperidin-1-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperidino)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C22H22N2O5/c25-22(23-10-8-17(9-11-23)12-16-4-2-1-3-5-16)7-6-18-13-20-21(29-15-28-20)14-19(18)24(26)27/h1-7,13-14,17H,8-12,15H2/b7-6+