1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione

Systemtic Name: 1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione Openeye Name: 1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione CAS Name: 1-methyl-5-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione IUPAC Name: 1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione Traditional Name: 1-methyl-5-[3-[4-(2-pyrimidyl)piperazino]propyl]-6,7-dihydropyrrol[3,2-c]azepine-4,8-quinone Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(=O)CCN(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=CC2=C1C(=O)CCN(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N6O2/c1-23-10-4-16-18(23)17(27)5-11-25(19(16)28)9-3-8-24-12-14-26(15-13-24)20-21-6-2-7-22-20/h2,4,6-7,10H,3,5,8-9,11-15H2,1H3