4-(1,3-benzodioxol-4-ylmethyl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethyl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(1,3-benzodioxol-4-ylmethyl)-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(1,3-benzodioxol-4-ylmethyl)-7-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(1,3-benzodioxol-4-ylmethyl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(1,3-benzodioxol-4-ylmethyl)-7-[[4-(2-pyridyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=C5C(=CC=C4)OCO5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=C5C(=CC=C4)OCO5)C6=CC=CC=N6

InChI

InChI=1S/C27H30N4O3/c1-2-9-28-26(6-1)31-12-10-29(11-13-31)17-21-7-8-24-23(16-21)19-30(14-15-32-24)18-22-4-3-5-25-27(22)34-20-33-25/h1-9,16H,10-15,17-20H2