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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O4S/c1-3-4-17-30-26(32)22-12-8-7-11-21(22)24(28-30)25(31)27-20-14-13-19(2)23(18-20)35(33,34)29-15-9-5-6-10-16-29/h7-8,11-14,18H,3-6,9-10,15-17H2,1-2H3,(H,27,31)