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

Systemtic Name: N-cycloheptyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-cycloheptyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-cycloheptyl-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-cycloheptyl-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-cycloheptyl-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C28H34N6O MolecularWeight: 470.60916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N6O/c35-27(31-23-10-4-1-2-5-11-23)22-9-8-12-24(21-22)30-26-15-16-29-28(32-26)34-19-17-33(18-20-34)25-13-6-3-7-14-25/h3,6-9,12-16,21,23H,1-2,4-5,10-11,17-20H2,(H,31,35)(H,29,30,32)