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

Systemtic Name: 4-(1-benzofuran-2-ylmethyl)-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(benzofuran-2-ylmethyl)-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(2-benzofuranylmethyl)-7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(1-benzofuran-2-ylmethyl)-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(benzofuran-2-ylmethyl)-7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC5=CC=CC=C5O4)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC5=CC=CC=C5O4)C6=NC=CC=N6

InChI

InChI=1S/C27H29N5O2/c1-2-5-26-22(4-1)17-24(34-26)20-31-14-15-33-25-7-6-21(16-23(25)19-31)18-30-10-12-32(13-11-30)27-28-8-3-9-29-27/h1-9,16-17H,10-15,18-20H2