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

Systemtic Name: 3-[1-[[4-[5-(1-azanylbutylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-naphthalen-1-yl-piperidine-1-carboxamide Openeye Name: 3-[1-[[4-[5-(1-aminobutylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-(1-naphthyl)piperidine-1-carboxamide CAS Name: 3-[1-[[4-[5-(1-aminobutylamino)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-N-(1-naphthalenyl)-1-piperidinecarboxamide IUPAC Name: 3-[1-[[4-[5-(1-aminobutylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-naphthalen-1-ylpiperidine-1-carboxamide Traditional Name: 3-[1-[[4-[5-(1-aminobutylamino)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-(1-naphthyl)piperidine-1-carboxamide Formula: C33H39N9O MolecularWeight: 577.72246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N)NC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4CCCN(C4)C(=O)NC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCCC(N)NC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4CCCN(C4)C(=O)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C33H39N9O/c1-3-8-30(34)38-25-14-15-29-28(19-25)36-21-42(29)31-16-17-35-32(40-31)37-22(2)24-11-7-18-41(20-24)33(43)39-27-13-6-10-23-9-4-5-12-26(23)27/h4-6,9-10,12-17,19,21-22,24,30,38H,3,7-8,11,18,20,34H2,1-2H3,(H,39,43)(H,35,37,40)