2-(5'-chloranyl-3,3-dimethyl-spiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]-1-yl)ethanenitrile

Systemtic Name: 2-(5'-chloranyl-3,3-dimethyl-spiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]-1-yl)ethanenitrile Openeye Name: 2-(5'-chloro-3,3-dimethyl-spiro[indoline-2,2'-pyrido[3,4-h][1,4]benzoxazine]-1-yl)acetonitrile CAS Name: 2-(5'-chloro-3,3-dimethyl-1-spiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]yl)acetonitrile IUPAC Name: 2-(5'-chloro-3,3-dimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]-1-yl)acetonitrile Traditional Name: 2-(5'-chloro-3,3-dimethyl-spiro[indoline-2,2'-pyrido[3,4-h][1,4]benzoxazine]-1-yl)acetonitrile Formula: C22H17ClN4O MolecularWeight: 388.84958

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C13C=NC4=C(C=C5C=NC=CC5=C4O3)Cl)CC#N)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C13C=NC4=C(C=C5C=NC=CC5=C4O3)Cl)CC#N)C

InChI

InChI=1S/C22H17ClN4O/c1-21(2)16-5-3-4-6-18(16)27(10-8-24)22(21)13-26-19-17(23)11-14-12-25-9-7-15(14)20(19)28-22/h3-7,9,11-13H,10H2,1-2H3