12-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-[3-(1-piperidylsulfonyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[3-(1-piperidinylsulfonyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(3-piperidinosulfonylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C(=O)N2CC1

InChI

InChI=1S/C25H28N4O4S/c30-24(26-19-8-7-9-20(17-19)34(32,33)28-13-4-2-5-14-28)18-11-12-21-22(16-18)27-23-10-3-1-6-15-29(23)25(21)31/h7-9,11-12,16-17H,1-6,10,13-15H2,(H,26,30)