(3R,4R)-4-(azepan-1-yl)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-yl)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-yl)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepanyl)-1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-yl)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-yl)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-ol Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2O)CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCCN(CC1)[C@@H]2CCN(C[C@H]2O)CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H29ClN2O2/c22-18-5-6-21-17(12-18)11-16(15-26-21)13-23-10-7-19(20(25)14-23)24-8-3-1-2-4-9-24/h5-6,11-12,19-20,25H,1-4,7-10,13-15H2/t19-,20-/m1/s1