N-(phenylmethyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(phenylmethyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-benzyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-(phenylmethyl)-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-benzyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-benzyl-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C28H28N6O MolecularWeight: 464.56152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H28N6O/c35-27(30-21-22-8-3-1-4-9-22)23-10-7-11-24(20-23)31-26-14-15-29-28(32-26)34-18-16-33(17-19-34)25-12-5-2-6-13-25/h1-15,20H,16-19,21H2,(H,30,35)(H,29,31,32)