(phenylmethyl) 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate Openeye Name: benzyl 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-(1-naphthylcarbamoyl)piperazine-1-carboxylate CAS Name: 2-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-ethylamino]-4-[(1-naphthalenylamino)-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethylamino]-4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate Traditional Name: 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-4-(1-naphthylcarbamoyl)piperazine-1-carboxylic acid benzyl ester Formula: C36H34N8O3 MolecularWeight: 626.70696

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43)C5=NC=CC(=N5)N6C=NC7=CC=CC=C76

Isomeric SMILES

CCN(C1CN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43)C5=NC=CC(=N5)N6C=NC7=CC=CC=C76

InChI

InChI=1S/C36H34N8O3/c1-2-42(34-37-20-19-32(40-34)44-25-38-30-16-8-9-18-31(30)44)33-23-41(21-22-43(33)36(46)47-24-26-11-4-3-5-12-26)35(45)39-29-17-10-14-27-13-6-7-15-28(27)29/h3-20,25,33H,2,21-24H2,1H3,(H,39,45)