N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C25H31N5O4S MolecularWeight: 497.60974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H31N5O4S/c1-4-29(5-2)22-14-13-18(35(33,34)30-15-9-6-10-16-30)17-21(22)26-24(31)23-19-11-7-8-12-20(19)25(32)28(3)27-23/h7-8,11-14,17H,4-6,9-10,15-16H2,1-3H3,(H,26,31)