5-[5-[(3S)-3-(phenylmethyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-1H-indazole

Systemtic Name: 5-[5-[(3S)-3-(phenylmethyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-1H-indazole Openeye Name: 5-[5-[(3S)-3-benzylpiperazin-1-yl]-1,2,4-triazin-3-yl]-1H-indazole CAS Name: 5-[5-[(3S)-3-(phenylmethyl)-1-piperazinyl]-1,2,4-triazin-3-yl]-1H-indazole IUPAC Name: 5-[5-[(3S)-3-benzylpiperazin-1-yl]-1,2,4-triazin-3-yl]-1H-indazole Traditional Name: 5-[5-[(3S)-3-benzylpiperazino]-1,2,4-triazin-3-yl]-1H-indazole Formula: C21H21N7 MolecularWeight: 371.43834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=CN=NC(=N3)C4=CC5=C(C=C4)NN=C5

Isomeric SMILES

C1CN(C[C@@H](N1)CC2=CC=CC=C2)C3=CN=NC(=N3)C4=CC5=C(C=C4)NN=C5

InChI

InChI=1S/C21H21N7/c1-2-4-15(5-3-1)10-18-14-28(9-8-22-18)20-13-24-27-21(25-20)16-6-7-19-17(11-16)12-23-26-19/h1-7,11-13,18,22H,8-10,14H2,(H,23,26)/t18-/m0/s1