4-oxidanylidene-3-pentyl-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[4-(1-tetrazolyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C21H21N7O2/c1-2-3-6-13-27-21(30)18-8-5-4-7-17(18)19(24-27)20(29)23-15-9-11-16(12-10-15)28-14-22-25-26-28/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,29)