N-[4-(1-adamantyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine Openeye Name: N-[4-(1-adamantyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine CAS Name: N-[4-(1-adamantyl)phenyl]-3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinamine IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine Traditional Name: [4-(1-adamantyl)phenyl]-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amine Formula: C29H31N5 MolecularWeight: 449.58994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6)C

InChI

InChI=1S/C29H31N5/c1-18-11-19(2)34(33-18)28-27(31-25-5-3-4-6-26(25)32-28)30-24-9-7-23(8-10-24)29-15-20-12-21(16-29)14-22(13-20)17-29/h3-11,20-22H,12-17H2,1-2H3,(H,30,31)