(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl)OC1

InChI

InChI=1S/C18H19ClN4O3/c19-14-11-13(12-15-16(14)26-10-2-9-25-15)17(24)22-5-7-23(8-6-22)18-20-3-1-4-21-18/h1,3-4,11-12H,2,5-10H2