3-[1-[(3-tert-butylphenyl)methyl]indol-3-yl]-4-chloranyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[1-[(3-tert-butylphenyl)methyl]indol-3-yl]-4-chloranyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[1-[(3-tert-butylphenyl)methyl]indol-3-yl]-4-chloro-cyclobut-3-ene-1,2-dione CAS Name: 3-[1-[(3-tert-butylphenyl)methyl]-3-indolyl]-4-chlorocyclobut-3-ene-1,2-dione IUPAC Name: 3-[1-[(3-tert-butylphenyl)methyl]indol-3-yl]-4-chlorocyclobut-3-ene-1,2-dione Traditional Name: 3-[1-(3-tert-butylbenzyl)indol-3-yl]-4-chloro-cyclobut-3-ene-1,2-quinone Formula: C23H20ClNO2 MolecularWeight: 377.8634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)CN2C=C(C3=CC=CC=C32)C4=C(C(=O)C4=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)CN2C=C(C3=CC=CC=C32)C4=C(C(=O)C4=O)Cl

InChI

InChI=1S/C23H20ClNO2/c1-23(2,3)15-8-6-7-14(11-15)12-25-13-17(16-9-4-5-10-18(16)25)19-20(24)22(27)21(19)26/h4-11,13H,12H2,1-3H3