(3S)-6-chloranyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3S)-6-chloranyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-6-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]chromane-3-carboxamide CAS Name: (3S)-6-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-6-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-6-chloro-N-[2-(diethylaminomethyl)benzyl]chroman-3-carboxamide Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C22H27ClN2O2/c1-3-25(4-2)14-17-8-6-5-7-16(17)13-24-22(26)19-11-18-12-20(23)9-10-21(18)27-15-19/h5-10,12,19H,3-4,11,13-15H2,1-2H3,(H,24,26)/t19-/m0/s1