(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

Systemtic Name: (4-isoquinolin-5-ylsulfonylpiperazin-1-yl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone Openeye Name: [4-(5-isoquinolylsulfonyl)piperazin-1-yl]-[1-(4-pyridylmethyl)-4-piperidyl]methanone CAS Name: [4-(5-isoquinolinylsulfonyl)-1-piperazinyl]-[1-(pyridin-4-ylmethyl)-4-piperidinyl]methanone IUPAC Name: (4-isoquinolin-5-ylsulfonylpiperazin-1-yl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone Traditional Name: [4-(5-isoquinolylsulfonyl)piperazino]-[1-(4-pyridylmethyl)-4-piperidyl]methanone Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)CC5=CC=NC=C5

InChI

InChI=1S/C25H29N5O3S/c31-25(21-7-12-28(13-8-21)19-20-4-9-26-10-5-20)29-14-16-30(17-15-29)34(32,33)24-3-1-2-22-18-27-11-6-23(22)24/h1-6,9-11,18,21H,7-8,12-17,19H2