N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(6-methoxy-1,4-diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

Systemtic Name: N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(6-methoxy-1,4-diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine Openeye Name: N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(6-methoxy-1,4-diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine CAS Name: N-[1-[(3-fluorophenyl)methyl]-5-indazolyl]-5-[(6-methoxy-1,4-diazepan-1-yl)methyl]-4-pyrrolo[2,1-f][1,2,4]triazinamine IUPAC Name: N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(6-methoxy-1,4-diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine Traditional Name: [1-(3-fluorobenzyl)indazol-5-yl]-[5-[(6-methoxy-1,4-diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amine Formula: C27H29FN8O MolecularWeight: 500.570563

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Descriptors Computed from Structure

Canonical SMILES:

COC1CNCCN(C1)CC2=C3C(=NC=NN3C=C2)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F

Isomeric SMILES

COC1CNCCN(C1)CC2=C3C(=NC=NN3C=C2)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F

InChI

InChI=1S/C27H29FN8O/c1-37-24-14-29-8-10-34(17-24)16-20-7-9-35-26(20)27(30-18-32-35)33-23-5-6-25-21(12-23)13-31-36(25)15-19-3-2-4-22(28)11-19/h2-7,9,11-13,18,24,29H,8,10,14-17H2,1H3,(H,30,32,33)