(E)-3-[3-(cyclobutylamino)-6-cyclohexyl-6-phenyl-7H-indazol-1-yl]prop-2-enal

Systemtic Name: (E)-3-[3-(cyclobutylamino)-6-cyclohexyl-6-phenyl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclobutylamino)-6-cyclohexyl-6-phenyl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclobutylamino)-6-cyclohexyl-6-phenyl-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclobutylamino)-6-cyclohexyl-6-phenyl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclobutylamino)-6-cyclohexyl-6-phenyl-7H-indazol-1-yl]acrolein Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(CC3=C(C=C2)C(=NN3C=CC=O)NC4CCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2(CC3=C(C=C2)C(=NN3/C=C/C=O)NC4CCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N3O/c30-18-8-17-29-24-19-26(20-9-3-1-4-10-20,21-11-5-2-6-12-21)16-15-23(24)25(28-29)27-22-13-7-14-22/h1,3-4,8-10,15-18,21-22H,2,5-7,11-14,19H2,(H,27,28)/b17-8+