[5-(2-adamantylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [5-(2-adamantylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [5-(2-adamantylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [5-(2-adamantylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [5-(2-adamantylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [5-(2-adamantylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazino)methanone Formula: C26H41N5O MolecularWeight: 439.63664

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCC3C4CC5CC(C4)CC3C5)C(=N1)C(=O)N6CCN(CC6)C

Isomeric SMILES

CCN1C2=C(CC(CC2)NCC3C4CC5CC(C4)CC3C5)C(=N1)C(=O)N6CCN(CC6)C

InChI

InChI=1S/C26H41N5O/c1-3-31-24-5-4-21(27-16-23-19-11-17-10-18(13-19)14-20(23)12-17)15-22(24)25(28-31)26(32)30-8-6-29(2)7-9-30/h17-21,23,27H,3-16H2,1-2H3