3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]-4-(3-pyridylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-4-(3-pyridinylmethylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[3-(piperidinomethyl)phenoxy]propylamino]-4-(3-pyridylmethylamino)cyclobut-3-ene-1,2-quinone Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H30N4O3/c30-24-22(23(25(24)31)28-17-20-8-5-10-26-16-20)27-11-6-14-32-21-9-4-7-19(15-21)18-29-12-2-1-3-13-29/h4-5,7-10,15-16,27-28H,1-3,6,11-14,17-18H2