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

Systemtic Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Openeye Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile CAS Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile IUPAC Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Traditional Name: 2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)butyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Formula: C23H25N5 MolecularWeight: 371.4781

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C2=CC=CC=C2)CCCCN3CCC4=C(C3)C=C(C=C4)C#N

Isomeric SMILES

CN1C(=NN=C1C2=CC=CC=C2)CCCCN3CCC4=C(C3)C=C(C=C4)C#N

InChI

InChI=1S/C23H25N5/c1-27-22(25-26-23(27)20-7-3-2-4-8-20)9-5-6-13-28-14-12-19-11-10-18(16-24)15-21(19)17-28/h2-4,7-8,10-11,15H,5-6,9,12-14,17H2,1H3