4-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]carbonylpiperazin-2-one Openeye Name: 4-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-2-one CAS Name: 4-[[(2S)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-2-pyrrolidinyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-2-one Traditional Name: 4-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]prolyl]piperazin-2-one Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H23N5O3/c1-14-4-2-5-15(12-14)28-18-7-8-22-20(23-18)25-10-3-6-16(25)19(27)24-11-9-21-17(26)13-24/h2,4-5,7-8,12,16H,3,6,9-11,13H2,1H3,(H,21,26)/t16-/m0/s1