2,6-bis[4-(azepan-1-yl)but-2-ynyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Systemtic Name: 2,6-bis[4-(azepan-1-yl)but-2-ynyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Openeye Name: 2,6-bis[4-(azepan-1-yl)but-2-ynyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone CAS Name: 2,6-bis[4-(1-azepanyl)but-2-ynyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone IUPAC Name: 2,6-bis[4-(azepan-1-yl)but-2-ynyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Traditional Name: 2,6-bis[4-(azepan-1-yl)but-2-ynyl]pyrrol[3,4-f]isoindole-1,3,5,7-diquinone Formula: C30H34N4O4 MolecularWeight: 514.61536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC#CCN5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)CC#CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC#CCN5CCCCCC5

InChI

InChI=1S/C30H34N4O4/c35-27-23-21-25-26(30(38)34(29(25)37)20-12-10-18-32-15-7-3-4-8-16-32)22-24(23)28(36)33(27)19-11-9-17-31-13-5-1-2-6-14-31/h21-22H,1-8,13-20H2