1-[6-ethanoyl-5-(1H-imidazol-2-ylmethyl)cyclohexa-1,5-dien-1-yl]-4-piperidin-4-yl-piperazine-2,6-dione

Systemtic Name: 1-[6-ethanoyl-5-(1H-imidazol-2-ylmethyl)cyclohexa-1,5-dien-1-yl]-4-piperidin-4-yl-piperazine-2,6-dione Openeye Name: 1-[6-acetyl-5-(1H-imidazol-2-ylmethyl)cyclohexa-1,5-dien-1-yl]-4-(4-piperidyl)piperazine-2,6-dione CAS Name: 1-[6-acetyl-5-(1H-imidazol-2-ylmethyl)-1-cyclohexa-1,5-dienyl]-4-(4-piperidinyl)piperazine-2,6-dione IUPAC Name: 1-[6-acetyl-5-(1H-imidazol-2-ylmethyl)cyclohexa-1,5-dien-1-yl]-4-piperidin-4-ylpiperazine-2,6-dione Traditional Name: 1-[6-acetyl-5-(1H-imidazol-2-ylmethyl)cyclohexa-1,5-dien-1-yl]-4-(4-piperidyl)piperazine-2,6-quinone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CCC=C1N2C(=O)CN(CC2=O)C3CCNCC3)CC4=NC=CN4

Isomeric SMILES

CC(=O)C1=C(CCC=C1N2C(=O)CN(CC2=O)C3CCNCC3)CC4=NC=CN4

InChI

InChI=1S/C21H27N5O3/c1-14(27)21-15(11-18-23-9-10-24-18)3-2-4-17(21)26-19(28)12-25(13-20(26)29)16-5-7-22-8-6-16/h4,9-10,16,22H,2-3,5-8,11-13H2,1H3,(H,23,24)