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

Systemtic Name: [4-(phenylmethyl)piperidin-1-yl]-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone Openeye Name: (4-benzyl-1-piperidyl)-(1-pyrrolidin-1-yl-4-isoquinolyl)methanone CAS Name: [4-(phenylmethyl)-1-piperidinyl]-[1-(1-pyrrolidinyl)-4-isoquinolinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone Traditional Name: (4-benzylpiperidino)-(1-pyrrolidino-4-isoquinolyl)methanone Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O/c30-26(29-16-12-21(13-17-29)18-20-8-2-1-3-9-20)24-19-27-25(28-14-6-7-15-28)23-11-5-4-10-22(23)24/h1-5,8-11,19,21H,6-7,12-18H2