2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]furan-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]furan-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2-furyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2-furanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]furan-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2-furyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(C(=N2)N)C#N)C3=CC=C(O3)COC4=CC=CC=C4Br

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(C(=N2)N)C#N)C3=CC=C(O3)COC4=CC=CC=C4Br

InChI

InChI=1S/C23H22BrN3O2/c24-18-8-5-6-10-20(18)28-14-15-11-12-21(29-15)22-16-7-3-1-2-4-9-19(16)27-23(26)17(22)13-25/h5-6,8,10-12H,1-4,7,9,14H2,(H2,26,27)