2-(azepan-1-yl)-N-[9,10-bis(oxidanylidene)anthracen-1-yl]ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-[9,10-bis(oxidanylidene)anthracen-1-yl]ethanamide Openeye Name: 2-(azepan-1-yl)-N-(9,10-dioxo-1-anthryl)acetamide CAS Name: 2-(1-azepanyl)-N-(9,10-dioxo-1-anthracenyl)acetamide IUPAC Name: 2-(azepan-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide Traditional Name: 2-(azepan-1-yl)-N-(9,10-diketo-1-anthryl)acetamide Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)CC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O3/c25-19(14-24-12-5-1-2-6-13-24)23-18-11-7-10-17-20(18)22(27)16-9-4-3-8-15(16)21(17)26/h3-4,7-11H,1-2,5-6,12-14H2,(H,23,25)