3-[[3-[(4-chlorophenyl)-(1-naphthalen-1-ylethylamino)methyl]phenyl]amino]-4-oxidanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[3-[(4-chlorophenyl)-(1-naphthalen-1-ylethylamino)methyl]phenyl]amino]-4-oxidanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[(4-chlorophenyl)-[1-(1-naphthyl)ethylamino]methyl]anilino]-4-hydroxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[(4-chlorophenyl)-[1-(1-naphthalenyl)ethylamino]methyl]anilino]-4-hydroxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[(4-chlorophenyl)-(1-naphthalen-1-ylethylamino)methyl]anilino]-4-hydroxycyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[(4-chlorophenyl)-[1-(1-naphthyl)ethylamino]methyl]anilino]-4-hydroxy-cyclobut-3-ene-1,2-quinone Formula: C29H23ClN2O3 MolecularWeight: 482.95752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)NC5=C(C(=O)C5=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)NC5=C(C(=O)C5=O)O

InChI

InChI=1S/C29H23ClN2O3/c1-17(23-11-5-7-18-6-2-3-10-24(18)23)31-25(19-12-14-21(30)15-13-19)20-8-4-9-22(16-20)32-26-27(33)29(35)28(26)34/h2-17,25,31-33H,1H3