3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2H-isoquinolin-1-one

Systemtic Name: 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2H-isoquinolin-1-one Openeye Name: 3-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]isocarbostyril Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H25N3O2/c1-17-7-2-3-9-19(17)16-25-11-6-12-26(14-13-25)23(28)21-15-18-8-4-5-10-20(18)22(27)24-21/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,24,27)