isoquinolin-5-yl-[3-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: isoquinolin-5-yl-[3-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (3-benzylpiperazin-1-yl)-(5-isoquinolyl)methanone CAS Name: 5-isoquinolinyl-[3-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (3-benzylpiperazin-1-yl)-isoquinolin-5-ylmethanone Traditional Name: (3-benzylpiperazino)-(5-isoquinolyl)methanone Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21N3O/c25-21(20-8-4-7-17-14-22-10-9-19(17)20)24-12-11-23-18(15-24)13-16-5-2-1-3-6-16/h1-10,14,18,23H,11-13,15H2