4-[4-(4-chloranyl-1H-indol-3-yl)piperidin-1-yl]-1-(1H-isoquinolin-2-yl)butan-1-one

Systemtic Name: 4-[4-(4-chloranyl-1H-indol-3-yl)piperidin-1-yl]-1-(1H-isoquinolin-2-yl)butan-1-one Openeye Name: 4-[4-(4-chloro-1H-indol-3-yl)-1-piperidyl]-1-(1H-isoquinolin-2-yl)butan-1-one CAS Name: 4-[4-(4-chloro-1H-indol-3-yl)-1-piperidinyl]-1-(1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-[4-(4-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-[4-(4-chloro-1H-indol-3-yl)piperidino]-1-(1H-isoquinolin-2-yl)butan-1-one Formula: C26H28ClN3O MolecularWeight: 433.97302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=C2C(=CC=C3)Cl)CCCC(=O)N4CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C2=CNC3=C2C(=CC=C3)Cl)CCCC(=O)N4CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H28ClN3O/c27-23-7-3-8-24-26(23)22(17-28-24)20-10-14-29(15-11-20)13-4-9-25(31)30-16-12-19-5-1-2-6-21(19)18-30/h1-3,5-8,12,16-17,20,28H,4,9-11,13-15,18H2