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

Systemtic Name: 3-azanyl-4-[[3-(4-methoxyphenyl)-2-[(1-phenylethylamino)methyl]phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-(4-methoxyphenyl)-2-[(1-phenylethylamino)methyl]anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-(4-methoxyphenyl)-2-[(1-phenylethylamino)methyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-(4-methoxyphenyl)-2-[(1-phenylethylamino)methyl]anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-(4-methoxyphenyl)-2-[(1-phenylethylamino)methyl]anilino]cyclobut-3-ene-1,2-quinone Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3/c1-16(17-7-4-3-5-8-17)28-15-21-20(18-11-13-19(32-2)14-12-18)9-6-10-22(21)29-24-23(27)25(30)26(24)31/h3-14,16,28-29H,15,27H2,1-2H3