4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 5-(3-benzyloxyphenyl)-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile CAS Name: 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 5-(3-benzoxyphenyl)-4-(1H-indol-5-ylamino)nicotinonitrile Formula: C27H20N4O MolecularWeight: 416.4739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C(=CN=C3)C#N)NC4=CC5=C(C=C4)NC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C(=CN=C3)C#N)NC4=CC5=C(C=C4)NC=C5

InChI

InChI=1S/C27H20N4O/c28-15-22-16-29-17-25(27(22)31-23-9-10-26-21(13-23)11-12-30-26)20-7-4-8-24(14-20)32-18-19-5-2-1-3-6-19/h1-14,16-17,30H,18H2,(H,29,31)