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

Systemtic Name: [5-(2-adamantylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [5-(2-adamantylmethylamino)-1-allyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [5-(2-adamantylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [5-(2-adamantylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [5-(2-adamantylmethylamino)-1-allyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazino)methanone Formula: C27H41N5O MolecularWeight: 451.64734

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=NN(C3=C2CC(CC3)NCC4C5CC6CC(C5)CC4C6)CC=C

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=NN(C3=C2CC(CC3)NCC4C5CC6CC(C5)CC4C6)CC=C

InChI

InChI=1S/C27H41N5O/c1-3-6-32-25-5-4-22(28-17-24-20-12-18-11-19(14-20)15-21(24)13-18)16-23(25)26(29-32)27(33)31-9-7-30(2)8-10-31/h3,18-22,24,28H,1,4-17H2,2H3