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

Systemtic Name: 3-[[4-[(4-phenoxyphenyl)amino]pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-[2-(1-piperidyl)ethyl]benzamide CAS Name: 3-[[4-(4-phenoxyanilino)-2-pyrimidinyl]amino]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-(2-piperidinoethyl)benzamide Formula: C30H32N6O2 MolecularWeight: 508.61408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N6O2/c37-29(31-18-21-36-19-5-2-6-20-36)23-8-7-9-25(22-23)34-30-32-17-16-28(35-30)33-24-12-14-27(15-13-24)38-26-10-3-1-4-11-26/h1,3-4,7-17,22H,2,5-6,18-21H2,(H,31,37)(H2,32,33,34,35)