4-(3-azanyl-4-heptoxy-phenyl)benzenecarbonitrile

Systemtic Name: 4-(3-azanyl-4-heptoxy-phenyl)benzenecarbonitrile Openeye Name: 4-(3-amino-4-heptoxy-phenyl)benzonitrile CAS Name: 4-(3-amino-4-heptoxyphenyl)benzonitrile IUPAC Name: 4-(3-amino-4-heptoxyphenyl)benzonitrile Traditional Name: 4-(3-amino-4-heptoxy-phenyl)benzonitrile Formula: C20H24N2O MolecularWeight: 308.41736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C20H24N2O/c1-2-3-4-5-6-13-23-20-12-11-18(14-19(20)22)17-9-7-16(15-21)8-10-17/h7-12,14H,2-6,13,22H2,1H3