3-chloranyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)benzamide

Systemtic Name: 3-chloranyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)benzamide Openeye Name: 3-chloro-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(4-piperidylmethyl)benzamide CAS Name: 3-chloro-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]-N-(4-piperidinylmethyl)benzamide IUPAC Name: 3-chloro-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)benzamide Traditional Name: 3-chloro-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(4-piperidylmethyl)benzamide Formula: C25H28ClN5O MolecularWeight: 449.97572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N(CC3CCNCC3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=NC=CC(=N2)N(CC3CCNCC3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H28ClN5O/c1-18(20-6-3-2-4-7-20)29-25-28-15-12-23(30-25)31(17-19-10-13-27-14-11-19)24(32)21-8-5-9-22(26)16-21/h2-9,12,15-16,18-19,27H,10-11,13-14,17H2,1H3,(H,28,29,30)/t18-/m1/s1