(2R,4S)-6-chloranyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-4H-1,3-benzodioxine-2-carboxamide hydrochloride

Systemtic Name: (2R,4S)-6-chloranyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-4H-1,3-benzodioxine-2-carboxamide hydrochloride Openeye Name: (2R,4S)-6-chloro-4-phenyl-N-[3-(1-piperidyl)propyl]-4H-1,3-benzodioxine-2-carboxamide hydrochloride CAS Name: (2R,4S)-6-chloro-4-phenyl-N-[3-(1-piperidinyl)propyl]-4H-1,3-benzodioxin-2-carboxamide hydrochloride IUPAC Name: (2R,4S)-6-chloro-4-phenyl-N-(3-piperidin-1-ylpropyl)-4H-1,3-benzodioxine-2-carboxamide hydrochloride Traditional Name: (2R,4S)-6-chloro-4-phenyl-N-(3-piperidinopropyl)-4H-1,3-benzodioxin-2-carboxamide hydrochloride Formula: C23H28Cl2N2O3 MolecularWeight: 451.38602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2OC(C3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)[C@@H]2O[C@H](C3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H27ClN2O3.ClH/c24-18-10-11-20-19(16-18)21(17-8-3-1-4-9-17)29-23(28-20)22(27)25-12-7-15-26-13-5-2-6-14-26;/h1,3-4,8-11,16,21,23H,2,5-7,12-15H2,(H,25,27);1H/t21-,23-;/m0./s1