4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7-[[4-(3-pyridyloxy)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)CC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)CC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C29H33N3O4/c1-2-26(18-30-9-1)36-25-7-10-31(11-8-25)19-22-3-5-27-24(16-22)21-32(12-13-33-27)20-23-4-6-28-29(17-23)35-15-14-34-28/h1-6,9,16-18,25H,7-8,10-15,19-21H2