2-[5-(12-oxidanylidene-1,4,8,11-tetrazacyclotetradec-6-yl)pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-(12-oxidanylidene-1,4,8,11-tetrazacyclotetradec-6-yl)pentyl]isoindole-1,3-dione Openeye Name: 2-[5-(12-oxo-1,4,8,11-tetrazacyclotetradec-6-yl)pentyl]isoindoline-1,3-dione CAS Name: 2-[5-(12-oxo-1,4,8,11-tetrazacyclotetradec-6-yl)pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-(12-oxo-1,4,8,11-tetrazacyclotetradec-6-yl)pentyl]isoindole-1,3-dione Traditional Name: 2-[5-(12-keto-1,4,8,11-tetrazacyclotetradec-6-yl)pentyl]isoindoline-1,3-quinone Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(CNCCNC1=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CNCCNCC(CNCCNC1=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H35N5O3/c29-21-9-10-24-11-12-25-16-18(17-26-13-14-27-21)6-2-1-5-15-28-22(30)19-7-3-4-8-20(19)23(28)31/h3-4,7-8,18,24-26H,1-2,5-6,9-17H2,(H,27,29)