5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one Traditional Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)isocarbostyril Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c25-21-19-8-4-9-20(28(26,27)24-13-5-11-22-12-15-24)18(19)10-14-23(21)16-17-6-2-1-3-7-17/h1-4,6-10,14,22H,5,11-13,15-16H2