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

Systemtic Name: [3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-naphthalen-2-yl-methanone Openeye Name: [3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]-1-piperidyl]-(2-naphthyl)methanone CAS Name: [3-[[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]methyl]-1-piperidinyl]-(2-naphthalenyl)methanone IUPAC Name: [3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-naphthalen-2-ylmethanone Traditional Name: [3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidino]-(2-naphthyl)methanone Formula: C28H26N6O MolecularWeight: 462.54564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3C=C2)CNC4=NC=CC(=N4)N5C=NC6=CC=CC=C65

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3C=C2)CNC4=NC=CC(=N4)N5C=NC6=CC=CC=C65

InChI

InChI=1S/C28H26N6O/c35-27(23-12-11-21-7-1-2-8-22(21)16-23)33-15-5-6-20(18-33)17-30-28-29-14-13-26(32-28)34-19-31-24-9-3-4-10-25(24)34/h1-4,7-14,16,19-20H,5-6,15,17-18H2,(H,29,30,32)