8-chloranyl-2-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 8-chloranyl-2-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 8-chloro-2-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-3,4-dihydroisoquinolin-1-one CAS Name: 8-chloro-2-[(3-methoxyphenyl)methyl]-7-(1-piperazinyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 8-chloro-2-[(3-methoxyphenyl)methyl]-7-piperazin-1-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 8-chloro-2-m-anisyl-7-piperazino-3,4-dihydroisocarbostyril Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC3=C(C2=O)C(=C(C=C3)N4CCNCC4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC3=C(C2=O)C(=C(C=C3)N4CCNCC4)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-27-17-4-2-3-15(13-17)14-25-10-7-16-5-6-18(20(22)19(16)21(25)26)24-11-8-23-9-12-24/h2-6,13,23H,7-12,14H2,1H3