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

Systemtic Name: (phenylmethyl) 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]-4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate Openeye Name: benzyl 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]-4-(1-naphthylcarbamoyl)piperazine-1-carboxylate CAS Name: 2-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-methylamino]-4-[(1-naphthalenylamino)-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]-4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate Traditional Name: 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]-4-(1-naphthylcarbamoyl)piperazine-1-carboxylic acid benzyl ester Formula: C35H32N8O3 MolecularWeight: 612.68038

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Descriptors Computed from Structure

Canonical SMILES:

CN(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

CN(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/C35H32N8O3/c1-40(33-36-19-18-31(39-33)43-24-37-29-15-7-8-17-30(29)43)32-22-41(20-21-42(32)35(45)46-23-25-10-3-2-4-11-25)34(44)38-28-16-9-13-26-12-5-6-14-27(26)28/h2-19,24,32H,20-23H2,1H3,(H,38,44)