2-azanyl-4-(4-octoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-octoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-octoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-octoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(4-octoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-octoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N

InChI

InChI=1S/C25H33N3O/c1-2-3-4-5-6-10-17-29-20-15-13-19(14-16-20)24-21-11-8-7-9-12-23(21)28-25(27)22(24)18-26/h13-16H,2-12,17H2,1H3,(H2,27,28)