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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(3-chlorobenzyl)-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C28H27ClN6O MolecularWeight: 499.00658

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN6O/c29-23-8-4-6-21(18-23)20-31-27(36)22-7-5-9-24(19-22)32-26-12-13-30-28(33-26)35-16-14-34(15-17-35)25-10-2-1-3-11-25/h1-13,18-19H,14-17,20H2,(H,31,36)(H,30,32,33)