[4-(phenylmethyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(1-piperidyl)-4-isoquinolyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[1-(1-piperidinyl)-4-isoquinolinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(1-piperidin-1-ylisoquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazino)-(1-piperidino-4-isoquinolyl)methanone Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N4O/c31-26(30-17-15-28(16-18-30)20-21-9-3-1-4-10-21)24-19-27-25(29-13-7-2-8-14-29)23-12-6-5-11-22(23)24/h1,3-6,9-12,19H,2,7-8,13-18,20H2