N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S/c1-16-11-12-17(15-20(16)32(30,31)27-13-7-3-4-8-14-27)24-22(28)21-18-9-5-6-10-19(18)23(29)26(2)25-21/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,24,28)