3-[[(2S)-8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]chromen-2-one

Systemtic Name: 3-[[(2S)-8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]chromen-2-one Openeye Name: 3-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]chromen-2-one CAS Name: 3-[[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]chromen-2-one Traditional Name: 3-[(2S)-8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]coumarin Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC[C@H]1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H18ClNO4/c1-2-16-12-23(11-14-7-8-15(22)10-19(14)26-16)20(24)17-9-13-5-3-4-6-18(13)27-21(17)25/h3-10,16H,2,11-12H2,1H3/t16-/m0/s1