5-azanyl-2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione

Systemtic Name: 5-azanyl-2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione Openeye Name: 5-amino-2-[2-[bis(2-pyridylmethyl)amino]ethyl]isoindoline-1,3-dione CAS Name: 5-amino-2-[2-[bis(2-pyridinylmethyl)amino]ethyl]isoindole-1,3-dione IUPAC Name: 5-amino-2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione Traditional Name: 5-amino-2-[2-[bis(2-pyridylmethyl)amino]ethyl]isoindoline-1,3-quinone Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CCN2C(=O)C3=C(C2=O)C=C(C=C3)N)CC4=CC=CC=N4

Isomeric SMILES

C1=CC=NC(=C1)CN(CCN2C(=O)C3=C(C2=O)C=C(C=C3)N)CC4=CC=CC=N4

InChI

InChI=1S/C22H21N5O2/c23-16-7-8-19-20(13-16)22(29)27(21(19)28)12-11-26(14-17-5-1-3-9-24-17)15-18-6-2-4-10-25-18/h1-10,13H,11-12,14-15,23H2