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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinolin-1-one CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)-4-methylisoquinolin-1-one Traditional Name: 2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isocarbostyril Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c1-17-15-24(16-18-7-3-2-4-8-18)22(26)19-9-5-10-20(21(17)19)29(27,28)25-13-6-11-23-12-14-25/h2-5,7-10,15,23H,6,11-14,16H2,1H3