6-chloranyl-7-methyl-4-[[[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]amino]methyl]chromen-2-one Openeye Name: 4-[[[(3S)-1-benzylpyrrolidin-3-yl]amino]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 4-[[[(3S)-1-benzylpyrrolidin-3-yl]amino]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[[(3S)-1-benzylpyrrolidin-3-yl]amino]methyl]-6-chloro-7-methyl-coumarin Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3CCN(C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN[C@H]3CCN(C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN2O2/c1-15-9-21-19(11-20(15)23)17(10-22(26)27-21)12-24-18-7-8-25(14-18)13-16-5-3-2-4-6-16/h2-6,9-11,18,24H,7-8,12-14H2,1H3/t18-/m0/s1