1-[4-[[(3S,3aS,7aS)-3a,7a-dihydro-3H-indol-3-yl]methyl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[[(3S,3aS,7aS)-3a,7a-dihydro-3H-indol-3-yl]methyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[[(3S,3aS,7aS)-3a,7a-dihydro-3H-indol-3-yl]methyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[[(3S,3aS,7aS)-3a,7a-dihydro-3H-indol-3-yl]methyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[[(3S,3aS,7aS)-3a,7a-dihydro-3H-indol-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[[(3S,3aS,7aS)-3a,7a-dihydro-3H-indol-3-yl]methyl]piperazino]-3-methyl-butan-1-one Formula: C18H27N3O MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2C=NC3C2C=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C[C@H]2C=N[C@@H]3[C@H]2C=CC=C3

InChI

InChI=1S/C18H27N3O/c1-14(2)11-18(22)21-9-7-20(8-10-21)13-15-12-19-17-6-4-3-5-16(15)17/h3-6,12,14-17H,7-11,13H2,1-2H3/t15-,16+,17+/m1/s1