2-[(4-chlorophenyl)methyl]-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one

Systemtic Name: 2-[(4-chlorophenyl)methyl]-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one Openeye Name: 2-[(4-chlorophenyl)methyl]-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one CAS Name: 2-[(4-chlorophenyl)methyl]-5-(1,4-diazepan-1-ylsulfonyl)-1-isoquinolinone IUPAC Name: 2-[(4-chlorophenyl)methyl]-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one Traditional Name: 2-(4-chlorobenzyl)-5-(1,4-diazepan-1-ylsulfonyl)isocarbostyril Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN(C3=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN(C3=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S/c22-17-7-5-16(6-8-17)15-24-13-9-18-19(21(24)26)3-1-4-20(18)29(27,28)25-12-2-10-23-11-14-25/h1,3-9,13,23H,2,10-12,14-15H2