[(2S)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidin-2-yl]-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: [(2S)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidin-2-yl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [(2S)-1-(4-anilino-2-pyrimidinyl)-2-pyrrolidinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C24H33N5O MolecularWeight: 407.55172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C24H33N5O/c1-18-12-15-28(17-24(2,3)16-18)22(30)20-10-7-14-29(20)23-25-13-11-21(27-23)26-19-8-5-4-6-9-19/h4-6,8-9,11,13,18,20H,7,10,12,14-17H2,1-3H3,(H,25,26,27)/t18?,20-/m0/s1