(4-phenylpiperazin-1-yl)-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[(3S)-1-pyrimidin-2-yl-3-piperidyl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Traditional Name: (4-phenylpiperazino)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]methanone Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O/c26-19(17-6-4-11-25(16-17)20-21-9-5-10-22-20)24-14-12-23(13-15-24)18-7-2-1-3-8-18/h1-3,5,7-10,17H,4,6,11-16H2/t17-/m0/s1