N-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[3-(1-methyl-5-tetrazolyl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[3-(1-methyltetrazol-5-yl)phenyl]phthalazine-1-carboxamide Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NN=NN4C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NN=NN4C

InChI

InChI=1S/C22H23N7O2/c1-3-4-7-13-29-22(31)18-12-6-5-11-17(18)19(25-29)21(30)23-16-10-8-9-15(14-16)20-24-26-27-28(20)2/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,23,30)