3-[6-[4-(morpholin-4-ylmethyl)phenoxy]hexylamino]-2-(pyridin-3-ylamino)cyclobut-2-en-1-one

Systemtic Name: 3-[6-[4-(morpholin-4-ylmethyl)phenoxy]hexylamino]-2-(pyridin-3-ylamino)cyclobut-2-en-1-one Openeye Name: 3-[6-[4-(morpholinomethyl)phenoxy]hexylamino]-2-(3-pyridylamino)cyclobut-2-en-1-one CAS Name: 3-[6-[4-(4-morpholinylmethyl)phenoxy]hexylamino]-2-(3-pyridinylamino)-1-cyclobut-2-enone IUPAC Name: 3-[6-[4-(morpholin-4-ylmethyl)phenoxy]hexylamino]-2-(pyridin-3-ylamino)cyclobut-2-en-1-one Traditional Name: 3-[6-[4-(morpholinomethyl)phenoxy]hexylamino]-2-(3-pyridylamino)cyclobut-2-en-1-one Formula: C26H34N4O3 MolecularWeight: 450.57316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)OCCCCCCNC3=C(C(=O)C3)NC4=CN=CC=C4

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)OCCCCCCNC3=C(C(=O)C3)NC4=CN=CC=C4

InChI

InChI=1S/C26H34N4O3/c31-25-18-24(26(25)29-22-6-5-11-27-19-22)28-12-3-1-2-4-15-33-23-9-7-21(8-10-23)20-30-13-16-32-17-14-30/h5-11,19,28-29H,1-4,12-18,20H2