2-cyclohexyl-5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-(4-p-anisyl-1,4-diazepane-1-carbonyl)isoindoline-1,3-quinone Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

InChI

InChI=1S/C28H33N3O4/c1-35-23-11-8-20(9-12-23)19-29-14-5-15-30(17-16-29)26(32)21-10-13-24-25(18-21)28(34)31(27(24)33)22-6-3-2-4-7-22/h8-13,18,22H,2-7,14-17,19H2,1H3