2-azanyl-4-(4-heptoxyphenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-heptoxyphenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-heptoxyphenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-heptoxyphenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-heptoxyphenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-heptoxyphenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C29H33N3O MolecularWeight: 439.59182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2CC(CC3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2CC(CC3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C29H33N3O/c1-2-3-4-5-9-18-33-24-15-12-22(13-16-24)28-25-19-23(21-10-7-6-8-11-21)14-17-27(25)32-29(31)26(28)20-30/h6-8,10-13,15-16,23H,2-5,9,14,17-19H2,1H3,(H2,31,32)