3-methyl-5-[6-phenethyl-5-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-3-yl]-2H-indazole

Systemtic Name: 3-methyl-5-[6-phenethyl-5-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-3-yl]-2H-indazole Openeye Name: 5-[5-[(3S)-3-isopropylpiperazin-1-yl]-6-phenethyl-1,2,4-triazin-3-yl]-3-methyl-2H-indazole CAS Name: 3-methyl-5-[6-phenethyl-5-[(3S)-3-propan-2-yl-1-piperazinyl]-1,2,4-triazin-3-yl]-2H-indazole IUPAC Name: 3-methyl-5-[6-phenethyl-5-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-3-yl]-2H-indazole Traditional Name: 5-[5-[(3S)-3-isopropylpiperazino]-6-phenethyl-1,2,4-triazin-3-yl]-3-methyl-2H-indazole Formula: C26H31N7 MolecularWeight: 441.57124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=NN1)C3=NC(=C(N=N3)CCC4=CC=CC=C4)N5CCNC(C5)C(C)C

Isomeric SMILES

CC1=C2C=C(C=CC2=NN1)C3=NC(=C(N=N3)CCC4=CC=CC=C4)N5CCN[C@H](C5)C(C)C

InChI

InChI=1S/C26H31N7/c1-17(2)24-16-33(14-13-27-24)26-23(11-9-19-7-5-4-6-8-19)31-32-25(28-26)20-10-12-22-21(15-20)18(3)29-30-22/h4-8,10,12,15,17,24,27H,9,11,13-14,16H2,1-3H3,(H,29,30)/t24-/m1/s1