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

Systemtic Name: 2-azanyl-6-tert-butyl-4-(3-phenoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-6-tert-butyl-4-(3-phenoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-6-tert-butyl-4-(3-phenoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-6-tert-butyl-4-(3-phenoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-6-tert-butyl-4-(3-phenoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H27N3O MolecularWeight: 397.51208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O/c1-26(2,3)18-12-13-23-21(15-18)24(22(16-27)25(28)29-23)17-8-7-11-20(14-17)30-19-9-5-4-6-10-19/h4-11,14,18H,12-13,15H2,1-3H3,(H2,28,29)