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

Systemtic Name: 2-azanyl-6-tert-butyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-6-tert-butyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-6-tert-butyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-6-tert-butyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H29N3O MolecularWeight: 411.53866

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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=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O/c1-27(2,3)20-11-14-24-22(15-20)25(23(16-28)26(29)30-24)19-9-12-21(13-10-19)31-17-18-7-5-4-6-8-18/h4-10,12-13,20H,11,14-15,17H2,1-3H3,(H2,29,30)