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

Systemtic Name: N-[4-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(1-cyclopropyl-5-tetrazolyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C26H21N7O2 MolecularWeight: 463.49064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)C3=CC=C(C=C3)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

C1CC1N2C(=NN=N2)C3=CC=C(C=C3)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C26H21N7O2/c34-25(27-19-12-10-18(11-13-19)24-28-30-31-33(24)20-14-15-20)23-21-8-4-5-9-22(21)26(35)32(29-23)16-17-6-2-1-3-7-17/h1-13,20H,14-16H2,(H,27,34)