3-cyano-N-[5-[[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-1H-indazol-3-yl]benzamide

Systemtic Name: 3-cyano-N-[5-[[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-1H-indazol-3-yl]benzamide Openeye Name: 3-cyano-N-[5-[[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-3,4-dioxo-cyclobuten-1-yl]amino]-1H-indazol-3-yl]benzamide CAS Name: 3-cyano-N-[5-[[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-3,4-dioxo-1-cyclobutenyl]amino]-1H-indazol-3-yl]benzamide IUPAC Name: 3-cyano-N-[5-[[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-1H-indazol-3-yl]benzamide Traditional Name: 3-cyano-N-[5-[[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-3,4-diketo-cyclobuten-1-yl]amino]-1H-indazol-3-yl]benzamide Formula: C27H20N6O4 MolecularWeight: 492.4855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC4=C(C=C3)NN=C4NC(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC4=C(C=C3)NN=C4NC(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H20N6O4/c1-14(16-5-3-7-19(34)11-16)29-22-23(25(36)24(22)35)30-18-8-9-21-20(12-18)26(33-32-21)31-27(37)17-6-2-4-15(10-17)13-28/h2-12,14,29-30,34H,1H3,(H2,31,32,33,37)/t14-/m1/s1