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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C27H30N8O MolecularWeight: 482.5801

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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)NCCCN5C=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCCCN5C=CN=C5

InChI

InChI=1S/C27H30N8O/c36-26(29-11-5-14-33-15-13-28-21-33)22-6-4-7-23(20-22)31-25-10-12-30-27(32-25)35-18-16-34(17-19-35)24-8-2-1-3-9-24/h1-4,6-10,12-13,15,20-21H,5,11,14,16-19H2,(H,29,36)(H,30,31,32)