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

Systemtic Name: 6-(3-azanylpropyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3-(1-phenylethyl)piperazine-2,5-dione Openeye Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(1-phenylethyl)piperazine-2,5-dione CAS Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1-phenylethyl)piperazine-2,5-dione IUPAC Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1-phenylethyl)piperazine-2,5-dione Traditional Name: 6-(3-aminopropyl)-3-(1-phenylethyl)-1-vanillyl-piperazine-2,5-quinone Formula: C23H29N3O4 MolecularWeight: 411.49406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)N(C(C(=O)N1)CCCN)CC2=CC(=C(C=C2)O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C1C(=O)N(C(C(=O)N1)CCCN)CC2=CC(=C(C=C2)O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-15(17-7-4-3-5-8-17)21-23(29)26(18(9-6-12-24)22(28)25-21)14-16-10-11-19(27)20(13-16)30-2/h3-5,7-8,10-11,13,15,18,21,27H,6,9,12,14,24H2,1-2H3,(H,25,28)