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3-azanyl-4-[3-[3-(azonan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione

3-azanyl-4-[3-[3-(azonan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name:3-azanyl-4-[3-[3-(azonan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
Openeye Name:3-amino-4-[3-[3-(azonan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
CAS Name:3-amino-4-[3-[3-(1-azonanylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
IUPAC Name:3-amino-4-[3-[3-(azonan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
Traditional Name:3-amino-4-[3-[3-(azonan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-quinone
Formula: C22H31N3O3
MolecularWeight: 385.49984
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN(CCC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N


Isomeric SMILES

C1CCCCN(CCC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N


InChI

InChI=1S/C22H31N3O3/c23-19-20(22(27)21(19)26)24-11-8-14-28-18-10-7-9-17(15-18)16-25-12-5-3-1-2-4-6-13-25/h7,9-10,15,24H,1-6,8,11-14,16,23H2


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