4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-azanyl-benzenecarbonitrile

Systemtic Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-azanyl-benzenecarbonitrile Openeye Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-amino-benzonitrile CAS Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-aminobenzonitrile IUPAC Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-aminobenzonitrile Traditional Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-amino-benzonitrile Formula: C16H21N3 MolecularWeight: 255.35804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C3=C(C=C(C=C3)C#N)N

Isomeric SMILES

C1CCC2CN(CCC2C1)C3=C(C=C(C=C3)C#N)N

InChI

InChI=1S/C16H21N3/c17-10-12-5-6-16(15(18)9-12)19-8-7-13-3-1-2-4-14(13)11-19/h5-6,9,13-14H,1-4,7-8,11,18H2