N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-3-(2-pyrimidylamino)benzamide Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N6O/c32-24(22-9-4-10-23(19-22)29-25-27-11-5-12-28-25)26-13-6-14-30-15-17-31(18-16-30)20-21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18,20H2,(H,26,32)(H,27,28,29)