7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-(3-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(3,6-dimethyl-2-pyrazinyl)-9-methoxy-4-(3-thiophenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-(3-thenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CSC=C4)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CSC=C4)C

InChI

InChI=1S/C21H23N3O2S/c1-14-10-22-15(2)20(23-14)17-8-18-12-24(11-16-4-7-27-13-16)5-6-26-21(18)19(9-17)25-3/h4,7-10,13H,5-6,11-12H2,1-3H3