N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-yl-benzamide Formula: C28H23N5O MolecularWeight: 445.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23N5O/c1-20-29-26(21-7-3-2-4-8-21)19-27(30-20)31-23-11-13-24(14-12-23)32-28(34)22-9-15-25(16-10-22)33-17-5-6-18-33/h2-19H,1H3,(H,32,34)(H,29,30,31)