N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c28-22-14-13-21(25-27(22)19-10-4-3-5-11-19)23(29)24-18-9-8-12-20(17-18)32(30,31)26-15-6-1-2-7-16-26/h3-5,8-12,17H,1-2,6-7,13-16H2,(H,24,29)