N-[2-(azepan-1-yl)phenyl]-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-phthalimido-propionamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c27-21(13-16-26-22(28)17-9-3-4-10-18(17)23(26)29)24-19-11-5-6-12-20(19)25-14-7-1-2-8-15-25/h3-6,9-12H,1-2,7-8,13-16H2,(H,24,27)