2-[4-(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile

Systemtic Name: 2-[4-(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Openeye Name: 2-[4-(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile CAS Name: 2-[4-(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile IUPAC Name: 2-[4-(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Traditional Name: 2-[4-(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Formula: C22H31N5 MolecularWeight: 365.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1C(C)(C)C)CCCCN2CCC3=C(C2)C=C(C=C3)C#N

Isomeric SMILES

CCN1C(=NN=C1C(C)(C)C)CCCCN2CCC3=C(C2)C=C(C=C3)C#N

InChI

InChI=1S/C22H31N5/c1-5-27-20(24-25-21(27)22(2,3)4)8-6-7-12-26-13-11-18-10-9-17(15-23)14-19(18)16-26/h9-10,14H,5-8,11-13,16H2,1-4H3