N-bromanyl-3-[ethyl-[4-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-4-methyl-N-naphthalen-1-yl-piperazine-1-carboxamide

Systemtic Name: N-bromanyl-3-[ethyl-[4-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-4-methyl-N-naphthalen-1-yl-piperazine-1-carboxamide Openeye Name: N-bromo-3-[ethyl-[4-[5-(4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]-4-methyl-N-(1-naphthyl)piperazine-1-carboxamide CAS Name: N-bromo-3-[ethyl-[4-(5-pyridin-4-yl-1-benzimidazolyl)-2-pyrimidinyl]amino]-4-methyl-N-(1-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: N-bromo-3-[ethyl-[4-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]-4-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide Traditional Name: N-bromo-3-[ethyl-[4-[5-(4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]-4-methyl-N-(1-naphthyl)piperazine-1-carboxamide Formula: C34H32BrN9O MolecularWeight: 662.58158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(CCN1C)C(=O)N(C2=CC=CC3=CC=CC=C32)Br)C4=NC=CC(=N4)N5C=NC6=C5C=CC(=C6)C7=CC=NC=C7

Isomeric SMILES

CCN(C1CN(CCN1C)C(=O)N(C2=CC=CC3=CC=CC=C32)Br)C4=NC=CC(=N4)N5C=NC6=C5C=CC(=C6)C7=CC=NC=C7

InChI

InChI=1S/C34H32BrN9O/c1-3-42(32-22-41(20-19-40(32)2)34(45)44(35)29-10-6-8-25-7-4-5-9-27(25)29)33-37-18-15-31(39-33)43-23-38-28-21-26(11-12-30(28)43)24-13-16-36-17-14-24/h4-18,21,23,32H,3,19-20,22H2,1-2H3