3-[1-[[4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 3-[1-[[4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: 3-[1-[[4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 3-[1-[[4-[5-(2-amino-4-pyridinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 3-[1-[[4-[5-(2-aminopyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 3-[1-[[4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide Formula: C30H31N9O MolecularWeight: 533.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=CC(=NC=C6)N

Isomeric SMILES

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=CC(=NC=C6)N

InChI

InChI=1S/C30H31N9O/c1-20(23-6-5-15-38(18-23)30(40)36-24-7-3-2-4-8-24)35-29-33-14-12-28(37-29)39-19-34-25-16-21(9-10-26(25)39)22-11-13-32-27(31)17-22/h2-4,7-14,16-17,19-20,23H,5-6,15,18H2,1H3,(H2,31,32)(H,36,40)(H,33,35,37)