(7E)-3-[[4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-1-yl]methyl]-7-(nitrosomethylidene)-1,3,3a,4-tetrahydrochromeno[4,3-c][1,2]oxazole

Systemtic Name: (7E)-3-[[4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-1-yl]methyl]-7-(nitrosomethylidene)-1,3,3a,4-tetrahydrochromeno[4,3-c][1,2]oxazole Openeye Name: (7E)-3-[[4-[(E)-2-methyl-3-phenyl-allyl]piperazin-1-yl]methyl]-7-(nitrosomethylene)-1,3,3a,4-tetrahydrochromeno[4,3-c]isoxazole CAS Name: (7E)-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-7-(nitrosomethylidene)-1,3,3a,4-tetrahydro[1]benzopyrano[4,3-c]isoxazole IUPAC Name: (7E)-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-7-(nitrosomethylidene)-1,3,3a,4-tetrahydrochromeno[4,3-c][1,2]oxazole Traditional Name: (7E)-3-[[4-[(E)-2-methyl-3-phenyl-allyl]piperazino]methyl]-7-(nitrosomethylene)-1,3,3a,4-tetrahydrochromen[4,3-c]isoxazole Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN2CCN(CC2)CC3C4COC5=CC(=CN=O)C=CC5=C4NO3

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN2CCN(CC2)CC3C4COC5=C/C(=C/N=O)/C=CC5=C4NO3

InChI

InChI=1S/C26H30N4O3/c1-19(13-20-5-3-2-4-6-20)16-29-9-11-30(12-10-29)17-25-23-18-32-24-14-21(15-27-31)7-8-22(24)26(23)28-33-25/h2-8,13-15,23,25,28H,9-12,16-18H2,1H3/b19-13+,21-15+