7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(2-allyloxyphenyl)methyl]-7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(3,6-dimethyl-2-pyrazinyl)-9-methoxy-4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2-allyloxybenzyl)-7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=CC=C4OCC=C)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=CC=C4OCC=C)C

InChI

InChI=1S/C26H29N3O3/c1-5-11-31-23-9-7-6-8-20(23)16-29-10-12-32-26-22(17-29)13-21(14-24(26)30-4)25-19(3)27-15-18(2)28-25/h5-9,13-15H,1,10-12,16-17H2,2-4H3