4-[3-(4-methoxyphenyl)isoquinolin-1-yl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[3-(4-methoxyphenyl)isoquinolin-1-yl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[3-(4-methoxyphenyl)-1-isoquinolyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[3-(4-methoxyphenyl)-1-isoquinolinyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[3-(4-methoxyphenyl)isoquinolin-1-yl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[3-(4-methoxyphenyl)-1-isoquinolyl]-1,4-diazepane-1-carbaldehyde Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCCN(CC4)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCCN(CC4)C=O

InChI

InChI=1S/C22H23N3O2/c1-27-19-9-7-17(8-10-19)21-15-18-5-2-3-6-20(18)22(23-21)25-12-4-11-24(16-26)13-14-25/h2-3,5-10,15-16H,4,11-14H2,1H3