5-(1,5,6,7-tetrahydro-1,4-diazepin-4-ylsulfonyl)-2H-isoquinolin-1-one

Systemtic Name: 5-(1,5,6,7-tetrahydro-1,4-diazepin-4-ylsulfonyl)-2H-isoquinolin-1-one Openeye Name: 5-(1,5,6,7-tetrahydro-1,4-diazepin-4-ylsulfonyl)-2H-isoquinolin-1-one CAS Name: 5-(1,5,6,7-tetrahydro-1,4-diazepin-4-ylsulfonyl)-2H-isoquinolin-1-one IUPAC Name: 5-(1,5,6,7-tetrahydro-1,4-diazepin-4-ylsulfonyl)-2H-isoquinolin-1-one Traditional Name: 5-(1,5,6,7-tetrahydro-1,4-diazepin-4-ylsulfonyl)isocarbostyril Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC=CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

C1CNC=CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C14H15N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7-8,10,15H,2,6,9H2,(H,16,18)