3-azanyl-4-[3-[3-[(4-oxidanylpiperidin-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[3-[3-[(4-oxidanylpiperidin-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[3-[(4-hydroxy-1-piperidyl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[3-[(4-hydroxy-1-piperidinyl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[3-[(4-hydroxypiperidino)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1CN(CCC1O)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C19H25N3O4/c20-16-17(19(25)18(16)24)21-7-2-10-26-15-4-1-3-13(11-15)12-22-8-5-14(23)6-9-22/h1,3-4,11,14,21,23H,2,5-10,12,20H2