3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3E)-3-(2H-isoquinolin-1-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3E)-3-(2H-isoquinolin-1-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3E)-3-(2H-isoquinolin-1-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3E)-3-(2H-isoquinolin-1-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3E)-3-(2H-isoquinolin-1-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3E)-3-(2H-isoquinolin-1-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-quinone Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC(=C4C5=CC=CC=C5C=CN4)C(=O)C=C3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=C/C(=C\4/C5=CC=CC=C5C=CN4)/C(=O)C=C3

InChI

InChI=1S/C27H21N3O4/c1-15(17-6-4-7-19(31)13-17)29-24-25(27(34)26(24)33)30-18-9-10-22(32)21(14-18)23-20-8-3-2-5-16(20)11-12-28-23/h2-15,28-31H,1H3/b23-21+/t15-/m1/s1