(3S)-3-azanyl-4-[(4-chloranyl-2-naphthalen-2-yl-3-oxidanylidene-butyl)amino]butanenitrile

Systemtic Name: (3S)-3-azanyl-4-[(4-chloranyl-2-naphthalen-2-yl-3-oxidanylidene-butyl)amino]butanenitrile Openeye Name: (3S)-3-amino-4-[[4-chloro-2-(2-naphthyl)-3-oxo-butyl]amino]butanenitrile CAS Name: (3S)-3-amino-4-[[4-chloro-2-(2-naphthalenyl)-3-oxobutyl]amino]butanenitrile IUPAC Name: (3S)-3-amino-4-[(4-chloro-2-naphthalen-2-yl-3-oxobutyl)amino]butanenitrile Traditional Name: (3S)-3-amino-4-[[4-chloro-3-keto-2-(2-naphthyl)butyl]amino]butyronitrile Formula: C18H20ClN3O MolecularWeight: 329.8239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(CNCC(CC#N)N)C(=O)CCl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(CNC[C@H](CC#N)N)C(=O)CCl

InChI

InChI=1S/C18H20ClN3O/c19-10-18(23)17(12-22-11-16(21)7-8-20)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-17,22H,7,10-12,21H2/t16-,17?/m0/s1