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

Systemtic Name: 3-azanyl-4-[[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[(2-cyclohexylethylamino)-(4-methoxyphenyl)methyl]anilino]cyclobut-3-ene-1,2-quinone Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3=C(C(=O)C3=O)N)NCCC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3=C(C(=O)C3=O)N)NCCC4CCCCC4

InChI

InChI=1S/C26H31N3O3/c1-32-21-12-10-18(11-13-21)23(28-15-14-17-6-3-2-4-7-17)19-8-5-9-20(16-19)29-24-22(27)25(30)26(24)31/h5,8-13,16-17,23,28-29H,2-4,6-7,14-15,27H2,1H3