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

Systemtic Name: 2-[1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethyl]isoindoline-1,3-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=NC=CN2C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=NC=CN2C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H25N5O3/c1-15(26-20(28)16-6-3-4-7-17(16)21(26)29)19(27)25-10-5-9-24(12-13-25)14-18-22-8-11-23(18)2/h3-4,6-8,11,15H,5,9-10,12-14H2,1-2H3