3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-methyl-N-naphthalen-2-yl-piperazine-1-carboxamide

Systemtic Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-methyl-N-naphthalen-2-yl-piperazine-1-carboxamide Openeye Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-methyl-N-(2-naphthyl)piperazine-1-carboxamide CAS Name: 3-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-ethylamino]-4-methyl-N-(2-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethylamino]-4-methyl-N-naphthalen-2-ylpiperazine-1-carboxamide Traditional Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-methyl-N-(2-naphthyl)piperazine-1-carboxamide Formula: C29H30N8O MolecularWeight: 506.6015

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(CCN1C)C(=O)NC2=CC3=CC=CC=C3C=C2)C4=NC=CC(=N4)N5C=NC6=CC=CC=C65

Isomeric SMILES

CCN(C1CN(CCN1C)C(=O)NC2=CC3=CC=CC=C3C=C2)C4=NC=CC(=N4)N5C=NC6=CC=CC=C65

InChI

InChI=1S/C29H30N8O/c1-3-36(28-30-15-14-26(33-28)37-20-31-24-10-6-7-11-25(24)37)27-19-35(17-16-34(27)2)29(38)32-23-13-12-21-8-4-5-9-22(21)18-23/h4-15,18,20,27H,3,16-17,19H2,1-2H3,(H,32,38)