2-ethyl-1-[4-[[2-[(phenylmethyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]hexan-1-one

Systemtic Name: 2-ethyl-1-[4-[[2-[(phenylmethyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[[2-(benzylamino)-3-pyridyl]methyl]piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 2-ethyl-1-[4-[[2-[(phenylmethyl)amino]-3-pyridinyl]methyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[[2-(benzylamino)pyridin-3-yl]methyl]piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[[2-(benzylamino)-3-pyridyl]methyl]piperazino]-2-ethyl-hexan-1-one Formula: C25H36N4O MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)CC2=C(N=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)CC2=C(N=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C25H36N4O/c1-3-5-12-22(4-2)25(30)29-17-15-28(16-18-29)20-23-13-9-14-26-24(23)27-19-21-10-7-6-8-11-21/h6-11,13-14,22H,3-5,12,15-20H2,1-2H3,(H,26,27)