2-[[5-chloranyl-2-[[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzamide

Systemtic Name: 2-[[5-chloranyl-2-[[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzamide Openeye Name: 2-[[5-chloro-2-[2-ethoxy-4-[4-(1-piperidyl)-1-piperidyl]anilino]pyrimidin-4-yl]amino]-N-ethyl-benzamide CAS Name: 2-[[5-chloro-2-[2-ethoxy-4-[4-(1-piperidinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]amino]-N-ethylbenzamide IUPAC Name: 2-[[5-chloro-2-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]-N-ethylbenzamide Traditional Name: 2-[[5-chloro-2-[2-ethoxy-4-(4-piperidinopiperidino)anilino]pyrimidin-4-yl]amino]-N-ethyl-benzamide Formula: C31H40ClN7O2 MolecularWeight: 578.148

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCCCC5)OCC

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCCCC5)OCC

InChI

InChI=1S/C31H40ClN7O2/c1-3-33-30(40)24-10-6-7-11-26(24)35-29-25(32)21-34-31(37-29)36-27-13-12-23(20-28(27)41-4-2)39-18-14-22(15-19-39)38-16-8-5-9-17-38/h6-7,10-13,20-22H,3-5,8-9,14-19H2,1-2H3,(H,33,40)(H2,34,35,36,37)