4-[4-methyl-5-oxidanylidene-2-(phenoxymethyl)-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-3-yl]butanenitrile

Systemtic Name: 4-[4-methyl-5-oxidanylidene-2-(phenoxymethyl)-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-3-yl]butanenitrile Openeye Name: 4-[4-allyl-4-methyl-5-oxo-2-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]butanenitrile CAS Name: 4-[4-methyl-5-oxo-2-(phenoxymethyl)-1-(3-phenylpropyl)-4-prop-2-enyl-3-pyrrolidinyl]butanenitrile IUPAC Name: 4-[4-methyl-5-oxo-2-(phenoxymethyl)-1-(3-phenylpropyl)-4-prop-2-enylpyrrolidin-3-yl]butanenitrile Traditional Name: 4-[4-allyl-5-keto-4-methyl-2-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]butyronitrile Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(N(C1=O)CCCC2=CC=CC=C2)COC3=CC=CC=C3)CCCC#N)CC=C

Isomeric SMILES

CC1(C(C(N(C1=O)CCCC2=CC=CC=C2)COC3=CC=CC=C3)CCCC#N)CC=C

InChI

InChI=1S/C28H34N2O2/c1-3-19-28(2)25(18-10-11-20-29)26(22-32-24-16-8-5-9-17-24)30(27(28)31)21-12-15-23-13-6-4-7-14-23/h3-9,13-14,16-17,25-26H,1,10-12,15,18-19,21-22H2,2H3