4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonyl-1,4-diazepan-2-one

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]carbonyl-1,4-diazepan-2-one Openeye Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-1,4-diazepan-2-one CAS Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-oxomethyl]-1,4-diazepan-2-one IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-1,4-diazepan-2-one Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-1,4-diazepan-2-one Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)CN(C1)C(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CNC(=O)CN(C1)C(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O2/c26-21-16-25(12-3-11-23-21)22(27)19-8-6-17(7-9-19)14-24-13-10-18-4-1-2-5-20(18)15-24/h1-2,4-9H,3,10-16H2,(H,23,26)