(E)-N-oxidanyl-3-[4-[[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]methyl]phenyl]prop-2-enamide

Systemtic Name: (E)-N-oxidanyl-3-[4-[[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]methyl]phenyl]prop-2-enamide Openeye Name: (E)-3-[4-[[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]methyl]phenyl]prop-2-enehydroxamic acid CAS Name: (E)-N-hydroxy-3-[4-[[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]methyl]phenyl]-2-propenamide IUPAC Name: (E)-N-hydroxy-3-[4-[[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]methyl]phenyl]prop-2-enamide Traditional Name: (E)-3-[4-[[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzyl]amino]methyl]phenyl]prop-2-enehydroxamic acid Formula: C31H30N6O2 MolecularWeight: 518.6089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)CNCC5=CC=C(C=C5)C=CC(=O)NO

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)CNCC5=CC=C(C=C5)/C=C/C(=O)NO

InChI

InChI=1S/C31H30N6O2/c1-21(25-5-3-2-4-6-25)35-30-27-17-28(36-31(27)34-20-33-30)26-14-11-24(12-15-26)19-32-18-23-9-7-22(8-10-23)13-16-29(38)37-39/h2-17,20-21,32,39H,18-19H2,1H3,(H,37,38)(H2,33,34,35,36)/b16-13+/t21-/m1/s1