3-(7-phenoxyheptylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(7-phenoxyheptylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(7-phenoxyheptylamino)-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(7-phenoxyheptylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(7-phenoxyheptylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(7-phenoxyheptylamino)-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H25N3O3/c26-21-19(20(22(21)27)25-17-11-14-23-15-12-17)24-13-7-2-1-3-8-16-28-18-9-5-4-6-10-18/h4-6,9-12,14-15,24H,1-3,7-8,13,16H2,(H,23,25)