1-(8-bromanyloctyl)-7-(phenylmethyl)-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione

Systemtic Name: 1-(8-bromanyloctyl)-7-(phenylmethyl)-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Openeye Name: 7-benzyl-1-(8-bromooctyl)-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione CAS Name: 1-(8-bromooctyl)-7-(phenylmethyl)-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione IUPAC Name: 7-benzyl-1-(8-bromooctyl)-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Traditional Name: 7-benzyl-1-(8-bromooctyl)-5,6-dihydropyrrol[2,3-c]azepine-4,8-quinone Formula: C23H29BrN2O2 MolecularWeight: 445.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C(C1=O)C=CN2CCCCCCCCBr)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=C(C1=O)C=CN2CCCCCCCCBr)CC3=CC=CC=C3

InChI

InChI=1S/C23H29BrN2O2/c24-14-8-3-1-2-4-9-15-25-16-12-20-21(27)13-17-26(23(28)22(20)25)18-19-10-6-5-7-11-19/h5-7,10-12,16H,1-4,8-9,13-15,17-18H2