2,3-dihydro-1,4-benzodioxin-3-yl-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4COC5=CC=CC=C5O4)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4COC5=CC=CC=C5O4)C6=NC=CC=N6

InChI

InChI=1S/C27H29N5O4/c33-26(25-19-35-23-4-1-2-5-24(23)36-25)32-14-15-34-22-7-6-20(16-21(22)18-32)17-30-10-12-31(13-11-30)27-28-8-3-9-29-27/h1-9,16,25H,10-15,17-19H2