1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c26-17(16-3-5-18-19(15-16)29-14-2-13-28-18)4-6-20(27)24-9-11-25(12-10-24)21-22-7-1-8-23-21/h1,3,5,7-8,15H,2,4,6,9-14H2