(E)-3-bromanyl-3-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylamino]-1-piperidin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-bromanyl-3-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylamino]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-bromo-3-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylamino]-1-(1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-bromo-3-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylamino]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-bromo-3-(2-methoxyphenyl)-2-[(4-nitrophenyl)methylamino]-1-piperidin-1-ylprop-2-en-1-one Traditional Name: (E)-3-bromo-3-(2-methoxyphenyl)-2-[(4-nitrobenzyl)amino]-1-piperidino-prop-2-en-1-one Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=C(C(=O)N2CCCCC2)NCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=CC=C1/C(=C(/C(=O)N2CCCCC2)\NCC3=CC=C(C=C3)[N+](=O)[O-])/Br

InChI

InChI=1S/C22H24BrN3O4/c1-30-19-8-4-3-7-18(19)20(23)21(22(27)25-13-5-2-6-14-25)24-15-16-9-11-17(12-10-16)26(28)29/h3-4,7-12,24H,2,5-6,13-15H2,1H3/b21-20+