3-azanyl-4-[[(Z)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[[(Z)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[[(Z)-4-[3-(1-piperidylmethyl)phenoxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[[(Z)-4-[3-(1-piperidinylmethyl)phenoxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[[(Z)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[[(Z)-4-[3-(piperidinomethyl)phenoxy]but-2-enyl]amino]cyclobut-3-ene-1,2-quinone Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCC=CCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OC/C=C\CNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C20H25N3O3/c21-17-18(20(25)19(17)24)22-9-2-5-12-26-16-8-6-7-15(13-16)14-23-10-3-1-4-11-23/h2,5-8,13,22H,1,3-4,9-12,14,21H2/b5-2-