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

Systemtic Name: 6-(3-azanylpropyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3-(phenylmethyl)piperazine-2,5-dione Openeye Name: 6-(3-aminopropyl)-3-benzyl-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperazine-2,5-dione CAS Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(phenylmethyl)piperazine-2,5-dione IUPAC Name: 6-(3-aminopropyl)-3-benzyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperazine-2,5-dione Traditional Name: 6-(3-aminopropyl)-3-benzyl-1-vanillyl-piperazine-2,5-quinone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(C(=O)NC(C2=O)CC3=CC=CC=C3)CCCN)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(C(=O)NC(C2=O)CC3=CC=CC=C3)CCCN)O

InChI

InChI=1S/C22H27N3O4/c1-29-20-13-16(9-10-19(20)26)14-25-18(8-5-11-23)21(27)24-17(22(25)28)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17-18,26H,5,8,11-12,14,23H2,1H3,(H,24,27)