[3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperazin-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperazin-1-yl]-naphthalen-2-yl-methanone Openeye Name: [3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperazin-1-yl]-(2-naphthyl)methanone CAS Name: [3-[[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]methyl]-1-piperazinyl]-(2-naphthalenyl)methanone IUPAC Name: [3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperazin-1-yl]-naphthalen-2-ylmethanone Traditional Name: [3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperazino]-(2-naphthyl)methanone Formula: C27H25N7O MolecularWeight: 463.5337

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CC(N1)CNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C27H25N7O/c35-26(21-10-9-19-5-1-2-6-20(19)15-21)33-14-13-28-22(17-33)16-30-27-29-12-11-25(32-27)34-18-31-23-7-3-4-8-24(23)34/h1-12,15,18,22,28H,13-14,16-17H2,(H,29,30,32)