(3R,4R)-4-(azepan-1-yl)-1-(isoquinolin-5-ylmethyl)piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-yl)-1-(isoquinolin-5-ylmethyl)piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-yl)-1-(5-isoquinolylmethyl)piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepanyl)-1-(5-isoquinolinylmethyl)-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-yl)-1-(isoquinolin-5-ylmethyl)piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-yl)-1-(5-isoquinolylmethyl)piperidin-3-ol Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2O)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCCN(CC1)[C@@H]2CCN(C[C@H]2O)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H29N3O/c25-21-16-23(13-9-20(21)24-11-3-1-2-4-12-24)15-18-7-5-6-17-14-22-10-8-19(17)18/h5-8,10,14,20-21,25H,1-4,9,11-13,15-16H2/t20-,21-/m1/s1