4-[(2S)-2-(3,3,5-trimethylazepan-1-yl)carbonylpyrrolidin-1-yl]chromen-2-one

Systemtic Name: 4-[(2S)-2-(3,3,5-trimethylazepan-1-yl)carbonylpyrrolidin-1-yl]chromen-2-one Openeye Name: 4-[(2S)-2-(3,3,5-trimethylazepane-1-carbonyl)pyrrolidin-1-yl]chromen-2-one CAS Name: 4-[(2S)-2-[oxo-(3,3,5-trimethyl-1-azepanyl)methyl]-1-pyrrolidinyl]-1-benzopyran-2-one IUPAC Name: 4-[(2S)-2-(3,3,5-trimethylazepane-1-carbonyl)pyrrolidin-1-yl]chromen-2-one Traditional Name: 4-[(2S)-2-(3,3,5-trimethylazepane-1-carbonyl)pyrrolidino]coumarin Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2CCCN2C3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)[C@@H]2CCCN2C3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C23H30N2O3/c1-16-10-12-24(15-23(2,3)14-16)22(27)18-8-6-11-25(18)19-13-21(26)28-20-9-5-4-7-17(19)20/h4-5,7,9,13,16,18H,6,8,10-12,14-15H2,1-3H3/t16?,18-/m0/s1