azepan-1-yl-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]methanone

Systemtic Name: azepan-1-yl-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]methanone Openeye Name: azepan-1-yl-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]methanone CAS Name: 1-azepanyl-[(2S)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-2-pyrrolidinyl]methanone IUPAC Name: azepan-1-yl-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]methanone Traditional Name: azepan-1-yl-[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]methanone Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)N4CCCCCC4

InChI

InChI=1S/C22H28N4O2/c1-17-8-6-9-18(16-17)28-20-11-12-23-22(24-20)26-15-7-10-19(26)21(27)25-13-4-2-3-5-14-25/h6,8-9,11-12,16,19H,2-5,7,10,13-15H2,1H3/t19-/m0/s1