3-(6-phenoxyhexylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(6-phenoxyhexylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(6-phenoxyhexylamino)-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(6-phenoxyhexylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(6-phenoxyhexylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(6-phenoxyhexylamino)-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C21H23N3O3/c25-20-18(19(21(20)26)24-16-10-13-22-14-11-16)23-12-6-1-2-7-15-27-17-8-4-3-5-9-17/h3-5,8-11,13-14,23H,1-2,6-7,12,15H2,(H,22,24)