1-methyl-8-oxidanyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one

Systemtic Name: 1-methyl-8-oxidanyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 8-hydroxy-1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 8-hydroxy-1-methyl-5-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 8-hydroxy-1-methyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 8-hydroxy-1-methyl-5-[3-[4-(2-pyrimidyl)piperazino]propyl]-7,8-dihydro-6H-pyrrol[3,2-c]azepin-4-one Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O2/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/h2,4,6-7,10,17,27H,3,5,8-9,11-15H2,1H3