4-[[3-[(2S)-2-azanyl-3-phenyl-propoxy]phenyl]amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 4-[[3-[(2S)-2-azanyl-3-phenyl-propoxy]phenyl]amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 4-[3-[(2S)-2-amino-3-phenyl-propoxy]anilino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 4-[3-[(2S)-2-amino-3-phenylpropoxy]anilino]-5-(3,4-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 4-[3-[(2S)-2-amino-3-phenylpropoxy]anilino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 4-[3-[(2S)-2-amino-3-phenyl-propoxy]anilino]-5-(3,4-dimethoxyphenyl)nicotinonitrile Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC(=CC=C3)OCC(CC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC(=CC=C3)OC[C@H](CC4=CC=CC=C4)N)OC

InChI

InChI=1S/C29H28N4O3/c1-34-27-12-11-21(14-28(27)35-2)26-18-32-17-22(16-30)29(26)33-24-9-6-10-25(15-24)36-19-23(31)13-20-7-4-3-5-8-20/h3-12,14-15,17-18,23H,13,19,31H2,1-2H3,(H,32,33)/t23-/m0/s1