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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O4S/c1-2-3-17-29-25(31)22-14-7-6-13-21(22)23(27-29)24(30)26-19-11-10-12-20(18-19)34(32,33)28-15-8-4-5-9-16-28/h6-7,10-14,18H,2-5,8-9,15-17H2,1H3,(H,26,30)