N-[3-(azepan-1-yl)propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C30H38N4O4S MolecularWeight: 550.71212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCCCCC5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCCCCC5

InChI

InChI=1S/C30H38N4O4S/c1-2-33-22-27(30(36)31-15-9-18-32-16-7-3-4-8-17-32)29(35)26-20-25(12-13-28(26)33)39(37,38)34-19-14-23-10-5-6-11-24(23)21-34/h5-6,10-13,20,22H,2-4,7-9,14-19,21H2,1H3,(H,31,36)