[5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-yl-methanone Openeye Name: [1-allyl-5-[benzothiophen-2-ylmethyl(methyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(1-piperidyl)methanone CAS Name: [5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(1-piperidinyl)methanone IUPAC Name: [5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone Traditional Name: [1-allyl-5-[benzothiophen-2-ylmethyl(methyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-piperidino-methanone Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2S1)C3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCCCC5

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2S1)C3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCCCC5

InChI

InChI=1S/C26H32N4OS/c1-3-13-30-23-12-11-20(28(2)18-21-16-19-9-5-6-10-24(19)32-21)17-22(23)25(27-30)26(31)29-14-7-4-8-15-29/h3,5-6,9-10,16,20H,1,4,7-8,11-15,17-18H2,2H3