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

Systemtic Name: 3-azanyl-4-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[3-(1-azocanylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1CCCN(CCC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C21H29N3O3/c22-18-19(21(26)20(18)25)23-10-7-13-27-17-9-6-8-16(14-17)15-24-11-4-2-1-3-5-12-24/h6,8-9,14,23H,1-5,7,10-13,15,22H2