4-[2-[[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]amino]pyrimidin-5-yl]benzamide

Systemtic Name: 4-[2-[[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]amino]pyrimidin-5-yl]benzamide Openeye Name: 4-[2-[[1-[(4-chloro-3-ethoxy-phenyl)methyl]-4-piperidyl]amino]pyrimidin-5-yl]benzamide CAS Name: 4-[2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]-4-piperidinyl]amino]-5-pyrimidinyl]benzamide IUPAC Name: 4-[2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyrimidin-5-yl]benzamide Traditional Name: 4-[2-[[1-(4-chloro-3-ethoxy-benzyl)-4-piperidyl]amino]pyrimidin-5-yl]benzamide Formula: C25H28ClN5O2 MolecularWeight: 465.97512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC=C(C=N3)C4=CC=C(C=C4)C(=O)N)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC=C(C=N3)C4=CC=C(C=C4)C(=O)N)Cl

InChI

InChI=1S/C25H28ClN5O2/c1-2-33-23-13-17(3-8-22(23)26)16-31-11-9-21(10-12-31)30-25-28-14-20(15-29-25)18-4-6-19(7-5-18)24(27)32/h3-8,13-15,21H,2,9-12,16H2,1H3,(H2,27,32)(H,28,29,30)