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

Systemtic Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-methyl-N-naphthalen-1-yl-piperazine-1-carboxamide Openeye Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-methyl-N-(1-naphthyl)piperazine-1-carboxamide CAS Name: 3-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-ethylamino]-4-methyl-N-(1-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethylamino]-4-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide Traditional Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-methyl-N-(1-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=CC=CC3=CC=CC=C32)C4=NC=CC(=N4)N5C=NC6=CC=CC=C65

Isomeric SMILES

CCN(C1CN(CCN1C)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CC(=N4)N5C=NC6=CC=CC=C65

InChI

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