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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3C)N4C=NN=N4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3C)N4C=NN=N4

InChI

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