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

Systemtic Name: N-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-(1-methyl-5-tetrazolyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(1-methyltetrazol-5-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(=C3)C4=NN=NN4C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NN=NN4C

InChI

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