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

Systemtic Name: 3-methyl-5-[5-[(3S)-3-(phenylmethyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-2H-indazole Openeye Name: 5-[5-[(3S)-3-benzylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole CAS Name: 3-methyl-5-[5-[(3S)-3-(phenylmethyl)-1-piperazinyl]-1,2,4-triazin-3-yl]-2H-indazole IUPAC Name: 5-[5-[(3S)-3-benzylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole Traditional Name: 5-[5-[(3S)-3-benzylpiperazino]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole Formula: C22H23N7 MolecularWeight: 385.46492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=NN1)C3=NC(=CN=N3)N4CCNC(C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C=C(C=CC2=NN1)C3=NC(=CN=N3)N4CCN[C@H](C4)CC5=CC=CC=C5

InChI

InChI=1S/C22H23N7/c1-15-19-12-17(7-8-20(19)27-26-15)22-25-21(13-24-28-22)29-10-9-23-18(14-29)11-16-5-3-2-4-6-16/h2-8,12-13,18,23H,9-11,14H2,1H3,(H,26,27)/t18-/m0/s1