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

Systemtic Name: 3-[[4-[(4-phenoxyphenyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 3-[[4-(4-phenoxyanilino)-2-pyrimidinyl]amino]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidinoethyl)benzamide Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H30N6O2/c36-28(30-17-20-35-18-4-5-19-35)22-7-6-8-24(21-22)33-29-31-16-15-27(34-29)32-23-11-13-26(14-12-23)37-25-9-2-1-3-10-25/h1-3,6-16,21H,4-5,17-20H2,(H,30,36)(H2,31,32,33,34)