2-[2-methyl-6-[3-(quinolin-2-ylamino)propoxymethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methyl-6-[3-(quinolin-2-ylamino)propoxymethyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methyl-6-[3-(2-quinolylamino)propoxymethyl]phenoxy]acetonitrile CAS Name: 2-[2-methyl-6-[3-(2-quinolinylamino)propoxymethyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methyl-6-[3-(quinolin-2-ylamino)propoxymethyl]phenoxy]acetonitrile Traditional Name: 2-[2-methyl-6-[3-(2-quinolylamino)propoxymethyl]phenoxy]acetonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCNC2=NC3=CC=CC=C3C=C2)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCNC2=NC3=CC=CC=C3C=C2)OCC#N

InChI

InChI=1S/C22H23N3O2/c1-17-6-4-8-19(22(17)27-15-12-23)16-26-14-5-13-24-21-11-10-18-7-2-3-9-20(18)25-21/h2-4,6-11H,5,13-16H2,1H3,(H,24,25)