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

Systemtic Name: 3-(heptan-2-ylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(1-methylhexylamino)-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(heptan-2-ylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(heptan-2-ylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(1-methylhexylamino)-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C(C(=O)C1=O)NC2=CC=NC=C2

Isomeric SMILES

CCCCCC(C)NC1=C(C(=O)C1=O)NC2=CC=NC=C2

InChI

InChI=1S/C16H21N3O2/c1-3-4-5-6-11(2)18-13-14(16(21)15(13)20)19-12-7-9-17-10-8-12/h7-11,18H,3-6H2,1-2H3,(H,17,19)