3-azanyl-4-[[3-(4-methoxyphenyl)-2-[(1-pyridin-4-ylethylamino)methyl]phenyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[[3-(4-methoxyphenyl)-2-[(1-pyridin-4-ylethylamino)methyl]phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-(4-methoxyphenyl)-2-[[1-(4-pyridyl)ethylamino]methyl]anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-(4-methoxyphenyl)-2-[(1-pyridin-4-ylethylamino)methyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-(4-methoxyphenyl)-2-[(1-pyridin-4-ylethylamino)methyl]anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-(4-methoxyphenyl)-2-[[1-(4-pyridyl)ethylamino]methyl]anilino]cyclobut-3-ene-1,2-quinone Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NCC2=C(C=CC=C2NC3=C(C(=O)C3=O)N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C1=CC=NC=C1)NCC2=C(C=CC=C2NC3=C(C(=O)C3=O)N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N4O3/c1-15(16-10-12-27-13-11-16)28-14-20-19(17-6-8-18(32-2)9-7-17)4-3-5-21(20)29-23-22(26)24(30)25(23)31/h3-13,15,28-29H,14,26H2,1-2H3