3-[[1-(4-methylphenyl)-2-oxidanyl-ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[1-(4-methylphenyl)-2-oxidanyl-ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[2-hydroxy-1-(p-tolyl)ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[2-hydroxy-1-(4-methylphenyl)ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[2-hydroxy-1-(4-methylphenyl)ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[2-hydroxy-1-(p-tolyl)ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CO)NC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CO)NC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C18H17N3O3/c1-11-2-4-12(5-3-11)14(10-22)21-16-15(17(23)18(16)24)20-13-6-8-19-9-7-13/h2-9,14,21-22H,10H2,1H3,(H,19,20)