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

Systemtic Name: 3-(7-phenylheptylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(7-phenylheptylamino)-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(7-phenylheptylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(7-phenylheptylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(7-phenylheptylamino)-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H25N3O2/c26-21-19(20(22(21)27)25-18-12-15-23-16-13-18)24-14-8-3-1-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-13,15-16,24H,1-3,5,8-9,14H2,(H,23,25)