3-[[4-[(4-phenoxyphenyl)amino]pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide

Systemtic Name: 3-[[4-[(4-phenoxyphenyl)amino]pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide Openeye Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-[3-(1-piperidyl)propyl]benzamide CAS Name: 3-[[4-(4-phenoxyanilino)-2-pyrimidinyl]amino]-N-[3-(1-piperidinyl)propyl]benzamide IUPAC Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide Traditional Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-(3-piperidinopropyl)benzamide Formula: C31H34N6O2 MolecularWeight: 522.64066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H34N6O2/c38-30(32-18-8-22-37-20-5-2-6-21-37)24-9-7-10-26(23-24)35-31-33-19-17-29(36-31)34-25-13-15-28(16-14-25)39-27-11-3-1-4-12-27/h1,3-4,7,9-17,19,23H,2,5-6,8,18,20-22H2,(H,32,38)(H2,33,34,35,36)