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

Systemtic Name: 3-butyl-4-oxidanylidene-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[4-(1-tetrazolyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C20H19N7O2/c1-2-3-12-26-20(29)17-7-5-4-6-16(17)18(23-26)19(28)22-14-8-10-15(11-9-14)27-13-21-24-25-27/h4-11,13H,2-3,12H2,1H3,(H,22,28)