3-[[2-chloranyl-5-[phenyl-(1-phenylethylamino)methyl]phenyl]amino]-4-methoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[2-chloranyl-5-[phenyl-(1-phenylethylamino)methyl]phenyl]amino]-4-methoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[2-chloro-5-[phenyl-(1-phenylethylamino)methyl]anilino]-4-methoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[2-chloro-5-[phenyl-(1-phenylethylamino)methyl]anilino]-4-methoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[2-chloro-5-[phenyl-(1-phenylethylamino)methyl]anilino]-4-methoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[2-chloro-5-[phenyl-(1-phenylethylamino)methyl]anilino]-4-methoxy-cyclobut-3-ene-1,2-quinone Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)NC4=C(C(=O)C4=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)NC4=C(C(=O)C4=O)OC

InChI

InChI=1S/C26H23ClN2O3/c1-16(17-9-5-3-6-10-17)28-22(18-11-7-4-8-12-18)19-13-14-20(27)21(15-19)29-23-24(30)25(31)26(23)32-2/h3-16,22,28-29H,1-2H3