5-[5-(azepan-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxynaphthalen-2-yl)-1H-indazole

Systemtic Name: 5-[5-(azepan-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxynaphthalen-2-yl)-1H-indazole Openeye Name: 5-[5-(azepan-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-2-naphthyl)-1H-indazole CAS Name: 5-[5-(1-azepanylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-2-naphthalenyl)-1H-indazole IUPAC Name: 5-[5-(azepan-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxynaphthalen-2-yl)-1H-indazole Traditional Name: 5-[5-(azepan-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-(6-methoxy-2-naphthyl)-1H-indazole Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=NNC4=C3C=C(C=C4)C5=NNC(=N5)CN6CCCCCC6

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=NNC4=C3C=C(C=C4)C5=NNC(=N5)CN6CCCCCC6

InChI

InChI=1S/C27H28N6O/c1-34-22-10-8-18-14-20(7-6-19(18)15-22)26-23-16-21(9-11-24(23)29-31-26)27-28-25(30-32-27)17-33-12-4-2-3-5-13-33/h6-11,14-16H,2-5,12-13,17H2,1H3,(H,29,31)(H,28,30,32)