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

Systemtic Name: 7-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Openeye Name: 7-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione CAS Name: 7-methyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione IUPAC Name: 7-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Traditional Name: 7-methyl-1-[4-[4-(2-pyrimidyl)piperazino]butyl]-5,6-dihydropyrrol[2,3-c]azepine-4,8-quinone Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=O)C2=C(C1=O)N(C=C2)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1CCC(=O)C2=C(C1=O)N(C=C2)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O2/c1-24-11-6-18(28)17-5-12-26(19(17)20(24)29)10-3-2-9-25-13-15-27(16-14-25)21-22-7-4-8-23-21/h4-5,7-8,12H,2-3,6,9-11,13-16H2,1H3