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

Systemtic Name: 2-azanyl-3-(4-phenylmethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carbonitrile Openeye Name: 2-amino-3-(4-benzyloxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carbonitrile CAS Name: 2-amino-3-(4-phenylmethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carbonitrile IUPAC Name: 2-amino-3-(4-phenylmethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carbonitrile Traditional Name: 2-amino-3-(4-benzoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carbonitrile Formula: C25H25N3O MolecularWeight: 383.4855

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(C(=N2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(C(=N2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H25N3O/c26-16-22-21-10-6-1-2-7-11-23(21)28-25(27)24(22)19-12-14-20(15-13-19)29-17-18-8-4-3-5-9-18/h3-5,8-9,12-15H,1-2,6-7,10-11,17H2,(H2,27,28)