2-[(4-cyanophenyl)amino]-2-[4-(isoquinolin-6-ylmethoxy)-3-methoxy-phenyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[4-(isoquinolin-6-ylmethoxy)-3-methoxy-phenyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-cyanoanilino)-2-[4-(6-isoquinolylmethoxy)-3-methoxy-phenyl]acetamide CAS Name: 2-(4-cyanoanilino)-2-[4-(6-isoquinolinylmethoxy)-3-methoxyphenyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-cyanoanilino)-2-[4-(isoquinolin-6-ylmethoxy)-3-methoxyphenyl]acetamide Traditional Name: N-benzyl-2-(4-cyanoanilino)-2-[4-(6-isoquinolylmethoxy)-3-methoxy-phenyl]acetamide Formula: C33H28N4O3 MolecularWeight: 528.60042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C#N)OCC4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C#N)OCC4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C33H28N4O3/c1-39-31-18-27(11-14-30(31)40-22-25-7-10-28-21-35-16-15-26(28)17-25)32(37-29-12-8-23(19-34)9-13-29)33(38)36-20-24-5-3-2-4-6-24/h2-18,21,32,37H,20,22H2,1H3,(H,36,38)