4-oxidanylidene-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[3-(2-oxoazepan-1-yl)propyl]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-(2-oxo-1-azepanyl)propyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[3-(2-oxoazepan-1-yl)propyl]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(2-ketoazepan-1-yl)propyl]-3-propyl-phthalazine-1-carboxamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C21H28N4O3/c1-2-13-25-21(28)17-10-6-5-9-16(17)19(23-25)20(27)22-12-8-15-24-14-7-3-4-11-18(24)26/h5-6,9-10H,2-4,7-8,11-15H2,1H3,(H,22,27)