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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

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