3-[8-(4-chloranylphenoxy)octylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[8-(4-chloranylphenoxy)octylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[8-(4-chlorophenoxy)octylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[8-(4-chlorophenoxy)octylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[8-(4-chlorophenoxy)octylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[8-(4-chlorophenoxy)octylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C23H26ClN3O3/c24-17-7-9-19(10-8-17)30-16-6-4-2-1-3-5-13-26-20-21(23(29)22(20)28)27-18-11-14-25-15-12-18/h7-12,14-15,26H,1-6,13,16H2,(H,25,27)