6-(3-azanylpropyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione

Systemtic Name: 6-(3-azanylpropyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione Openeye Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperazine-2,5-dione CAS Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperazine-2,5-dione IUPAC Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperazine-2,5-dione Traditional Name: 6-(3-aminopropyl)-1-vanillyl-piperazine-2,5-quinone Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(C(=O)NCC2=O)CCCN)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(C(=O)NCC2=O)CCCN)O

InChI

InChI=1S/C15H21N3O4/c1-22-13-7-10(4-5-12(13)19)9-18-11(3-2-6-16)15(21)17-8-14(18)20/h4-5,7,11,19H,2-3,6,8-9,16H2,1H3,(H,17,21)