N-[2-(azepan-1-yl)phenyl]-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H26N4O3/c28-21(13-16-27-23(30)18-10-4-3-9-17(18)22(29)25-27)24-19-11-5-6-12-20(19)26-14-7-1-2-8-15-26/h3-6,9-12H,1-2,7-8,13-16H2,(H,24,28)(H,25,29)