2-azanyl-6-tert-butyl-4-(4-octoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-6-tert-butyl-4-(4-octoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-6-tert-butyl-4-(4-octoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-6-tert-butyl-4-(4-octoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-6-tert-butyl-4-(4-octoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-6-tert-butyl-4-(4-octoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2CC(CC3)C(C)(C)C)N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2CC(CC3)C(C)(C)C)N)C#N

InChI

InChI=1S/C28H39N3O/c1-5-6-7-8-9-10-17-32-22-14-11-20(12-15-22)26-23-18-21(28(2,3)4)13-16-25(23)31-27(30)24(26)19-29/h11-12,14-15,21H,5-10,13,16-18H2,1-4H3,(H2,30,31)