[(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-isoquinolin-1-yl-methanone

Systemtic Name: [(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-isoquinolin-1-yl-methanone Openeye Name: [(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]-(1-isoquinolyl)methanone CAS Name: [(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-(1-isoquinolinyl)methanone IUPAC Name: [(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-isoquinolin-1-ylmethanone Traditional Name: [(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]-(1-isoquinolyl)methanone Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NC=CC3=CC=CC=C32)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2=NC=CC3=CC=CC=C32)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H23N3O3/c27-23(22-19-6-2-1-4-16(19)9-10-24-22)26-11-3-5-18(15-26)25-17-7-8-20-21(14-17)29-13-12-28-20/h1-2,4,6-10,14,18,25H,3,5,11-13,15H2/t18-/m1/s1