(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-N-[(3S)-2-oxo-3-azepanyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-ketoazepan-3-yl]-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)NC4CCCCNC4=O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C22H27N5O3/c1-15-6-4-7-16(14-15)30-19-10-12-24-22(26-19)27-13-5-9-18(27)21(29)25-17-8-2-3-11-23-20(17)28/h4,6-7,10,12,14,17-18H,2-3,5,8-9,11,13H2,1H3,(H,23,28)(H,25,29)/t17-,18-/m0/s1