2-[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-benzhydryl-1,4-diazepan-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-benzhydryl-1,4-diazepan-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-benzhydryl-1,4-diazepan-1-yl)propyl]isoindoline-1,3-quinone Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H31N3O2/c33-28-25-15-7-8-16-26(25)29(34)32(28)20-10-18-30-17-9-19-31(22-21-30)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,27H,9-10,17-22H2