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

Systemtic Name: [1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: [1-(4-anilinopyrimidin-2-yl)-4-piperidyl]-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [1-(4-anilino-2-pyrimidinyl)-4-piperidinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: [1-(4-anilinopyrimidin-2-yl)piperidin-4-yl]-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [1-(4-anilinopyrimidin-2-yl)-4-piperidyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C25H35N5O MolecularWeight: 421.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C25H35N5O/c1-19-10-14-30(18-25(2,3)17-19)23(31)20-11-15-29(16-12-20)24-26-13-9-22(28-24)27-21-7-5-4-6-8-21/h4-9,13,19-20H,10-12,14-18H2,1-3H3,(H,26,27,28)