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

Systemtic Name: 3-azanyl-4-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[3-[(4-methyl-1-piperidyl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[3-[(4-methyl-1-piperidinyl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[3-[(4-methylpiperidino)methyl]phenoxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

Isomeric SMILES

CC1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C20H27N3O3/c1-14-6-9-23(10-7-14)13-15-4-2-5-16(12-15)26-11-3-8-22-18-17(21)19(24)20(18)25/h2,4-5,12,14,22H,3,6-11,13,21H2,1H3