2-[1-oxidanylidene-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-oxidanylidene-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-2-oxo-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[1-oxo-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-oxo-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-methyl-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=N2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=N2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O3/c1-16(26-21(28)18-8-2-3-9-19(18)22(26)29)20(27)25-12-6-11-24(13-14-25)15-17-7-4-5-10-23-17/h2-5,7-10,16H,6,11-15H2,1H3