2-[4-[2,3-bis(oxidanyl)propyl]-1,4-diazepan-1-yl]-1-phenyl-indole-3-carbaldehyde

Systemtic Name: 2-[4-[2,3-bis(oxidanyl)propyl]-1,4-diazepan-1-yl]-1-phenyl-indole-3-carbaldehyde Openeye Name: 2-[4-(2,3-dihydroxypropyl)-1,4-diazepan-1-yl]-1-phenyl-indole-3-carbaldehyde CAS Name: 2-[4-(2,3-dihydroxypropyl)-1,4-diazepan-1-yl]-1-phenyl-3-indolecarboxaldehyde IUPAC Name: 2-[4-(2,3-dihydroxypropyl)-1,4-diazepan-1-yl]-1-phenylindole-3-carbaldehyde Traditional Name: 2-(4-glyceryl-1,4-diazepan-1-yl)-1-phenyl-indole-3-carbaldehyde Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)C=O)CC(CO)O

Isomeric SMILES

C1CN(CCN(C1)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)C=O)CC(CO)O

InChI

InChI=1S/C23H27N3O3/c27-16-19(29)15-24-11-6-12-25(14-13-24)23-21(17-28)20-9-4-5-10-22(20)26(23)18-7-2-1-3-8-18/h1-5,7-10,17,19,27,29H,6,11-16H2