6-(4-azanylbutyl)-3-cyclopenta-1,3-dien-1-yl-1-[3-(3-methoxy-4-oxidanyl-phenyl)propyl]piperazine-2,5-dione

Systemtic Name: 6-(4-azanylbutyl)-3-cyclopenta-1,3-dien-1-yl-1-[3-(3-methoxy-4-oxidanyl-phenyl)propyl]piperazine-2,5-dione Openeye Name: 6-(4-aminobutyl)-3-cyclopenta-1,3-dien-1-yl-1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]piperazine-2,5-dione CAS Name: 6-(4-aminobutyl)-3-(1-cyclopenta-1,3-dienyl)-1-[3-(4-hydroxy-3-methoxyphenyl)propyl]piperazine-2,5-dione IUPAC Name: 6-(4-aminobutyl)-3-cyclopenta-1,3-dien-1-yl-1-[3-(4-hydroxy-3-methoxyphenyl)propyl]piperazine-2,5-dione Traditional Name: 6-(4-aminobutyl)-3-cyclopenta-1,3-dien-1-yl-1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]piperazine-2,5-quinone Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCN2C(C(=O)NC(C2=O)C3=CC=CC3)CCCCN)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCCN2C(C(=O)NC(C2=O)C3=CC=CC3)CCCCN)O

InChI

InChI=1S/C23H31N3O4/c1-30-20-15-16(11-12-19(20)27)7-6-14-26-18(10-4-5-13-24)22(28)25-21(23(26)29)17-8-2-3-9-17/h2-3,8,11-12,15,18,21,27H,4-7,9-10,13-14,24H2,1H3,(H,25,28)