2-[(3S,5S)-7-chloranyl-1-(4-iodanylbutyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanenitrile

Systemtic Name: 2-[(3S,5S)-7-chloranyl-1-(4-iodanylbutyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanenitrile Openeye Name: 2-[(3S,5S)-7-chloro-1-(4-iodobutyl)-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetonitrile CAS Name: 2-[(3S,5S)-7-chloro-1-(4-iodobutyl)-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetonitrile IUPAC Name: 2-[(3S,5S)-7-chloro-1-(4-iodobutyl)-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetonitrile Traditional Name: 2-[(3S,5S)-7-chloro-1-(4-iodobutyl)-2-keto-5-(1-naphthyl)-5H-4,1-benzoxazepin-3-yl]acetonitrile Formula: C25H22ClIN2O2 MolecularWeight: 544.81185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3C4=C(C=CC(=C4)Cl)N(C(=O)C(O3)CC#N)CCCCI

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2[C@H]3C4=C(C=CC(=C4)Cl)N(C(=O)[C@@H](O3)CC#N)CCCCI

InChI

InChI=1S/C25H22ClIN2O2/c26-18-10-11-22-21(16-18)24(20-9-5-7-17-6-1-2-8-19(17)20)31-23(12-14-28)25(30)29(22)15-4-3-13-27/h1-2,5-11,16,23-24H,3-4,12-13,15H2/t23-,24-/m0/s1