N-[(3aS,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-4-methyl-piperazine-1-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[(3aS,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-4-methyl-piperazine-1-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[(3aS,6S,7aS)-1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-4-methyl-piperazine-1-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[(3aS,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-4-methyl-1-piperazinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(3aS,6S,7aS)-1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-4-methylpiperazine-1-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[(3aS,6S,7aS)-1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-4-methyl-piperazine-1-carboxamide; 2,2,2-trifluoroacetic acid Formula: C33H42F6N4O7 MolecularWeight: 720.699599

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2CCC3(CCN(C3C2)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1CCN(CC1)C(=O)N[C@H]2CC[C@]3(CCN([C@H]3C2)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C29H40N4O3.2C2HF3O2/c1-31-15-17-32(18-16-31)28(34)30-24-11-12-29(23-9-10-25(35-2)26(19-23)36-3)13-14-33(27(29)20-24)21-22-7-5-4-6-8-22;2*3-2(4,5)1(6)7/h4-10,19,24,27H,11-18,20-21H2,1-3H3,(H,30,34);2*(H,6,7)/t24-,27-,29-;;/m0../s1