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

Systemtic Name: 9-methoxy-7-(6-methoxypyridazin-3-yl)-4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-7-(6-methoxypyridazin-3-yl)-4-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(6-methoxy-3-pyridazinyl)-4-(2-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-(6-methoxypyridazin-3-yl)-4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(6-methoxypyridazin-3-yl)-4-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=CC=N4

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=CC=N4

InChI

InChI=1S/C21H22N4O3/c1-26-19-12-15(18-6-7-20(27-2)24-23-18)11-16-13-25(9-10-28-21(16)19)14-17-5-3-4-8-22-17/h3-8,11-12H,9-10,13-14H2,1-2H3