3-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[2-(1-benzyl-4-piperidyl)ethylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[2-(1-benzyl-4-piperidyl)ethylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c28-22-20(21(23(22)29)26-19-7-11-24-12-8-19)25-13-6-17-9-14-27(15-10-17)16-18-4-2-1-3-5-18/h1-5,7-8,11-12,17,25H,6,9-10,13-16H2,(H,24,26)