4-[3,4-dihydro-2H-chromen-2-ylmethyl-(phenylmethyl)amino]butanenitrile

Systemtic Name: 4-[3,4-dihydro-2H-chromen-2-ylmethyl-(phenylmethyl)amino]butanenitrile Openeye Name: 4-[benzyl(chroman-2-ylmethyl)amino]butanenitrile CAS Name: 4-[3,4-dihydro-2H-1-benzopyran-2-ylmethyl-(phenylmethyl)amino]butanenitrile IUPAC Name: 4-[benzyl(3,4-dihydro-2H-chromen-2-ylmethyl)amino]butanenitrile Traditional Name: 4-[benzyl(chroman-2-ylmethyl)amino]butyronitrile Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2OC1CN(CCCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1CC2=CC=CC=C2OC1CN(CCCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O/c22-14-6-7-15-23(16-18-8-2-1-3-9-18)17-20-13-12-19-10-4-5-11-21(19)24-20/h1-5,8-11,20H,6-7,12-13,15-17H2