1-[3-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one

Systemtic Name: 1-[3-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one Openeye Name: 1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]-1-piperidyl]prop-2-en-1-one CAS Name: 1-[3-[[6-(4-phenoxyanilino)-4-pyrimidinyl]amino]-1-piperidinyl]-2-propen-1-one IUPAC Name: 1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one Traditional Name: 1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]piperidino]prop-2-en-1-one Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCCC(C1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C=CC(=O)N1CCCC(C1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2/c1-2-24(30)29-14-6-7-19(16-29)28-23-15-22(25-17-26-23)27-18-10-12-21(13-11-18)31-20-8-4-3-5-9-20/h2-5,8-13,15,17,19H,1,6-7,14,16H2,(H2,25,26,27,28)