2-(1-hexanoyl-4-methoxy-pyrrolidin-2-yl)-2-[(phenylmethyl)amino]ethanenitrile

Systemtic Name: 2-(1-hexanoyl-4-methoxy-pyrrolidin-2-yl)-2-[(phenylmethyl)amino]ethanenitrile Openeye Name: 2-(benzylamino)-2-(1-hexanoyl-4-methoxy-pyrrolidin-2-yl)acetonitrile CAS Name: 2-[4-methoxy-1-(1-oxohexyl)-2-pyrrolidinyl]-2-[(phenylmethyl)amino]acetonitrile IUPAC Name: 2-(benzylamino)-2-(1-hexanoyl-4-methoxypyrrolidin-2-yl)acetonitrile Traditional Name: 2-(benzylamino)-2-(1-caproyl-4-methoxy-pyrrolidin-2-yl)acetonitrile Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CC(CC1C(C#N)NCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCC(=O)N1CC(CC1C(C#N)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H29N3O2/c1-3-4-6-11-20(24)23-15-17(25-2)12-19(23)18(13-21)22-14-16-9-7-5-8-10-16/h5,7-10,17-19,22H,3-4,6,11-12,14-15H2,1-2H3