N'-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonyl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carbohydrazide

Systemtic Name: N'-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonyl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carbohydrazide Openeye Name: N'-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-3-benzyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarbohydrazide IUPAC Name: N'-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]-3-benzyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-3-benzyl-4-keto-phthalazine-1-carbohydrazide Formula: C30H31N5O6S MolecularWeight: 589.66204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O6S/c1-41-26-16-15-22(42(39,40)34-17-9-2-3-10-18-34)19-25(26)28(36)31-32-29(37)27-23-13-7-8-14-24(23)30(38)35(33-27)20-21-11-5-4-6-12-21/h4-8,11-16,19H,2-3,9-10,17-18,20H2,1H3,(H,31,36)(H,32,37)