2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide CAS Name: 2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)acetamide Traditional Name: N-benzyl-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC4=C(C=C3)C=NC=C4)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC4=C(C=C3)C=NC=C4)OC(C)C

InChI

InChI=1S/C29H31N3O3/c1-4-34-27-17-23(11-13-26(27)35-20(2)3)28(29(33)31-18-21-8-6-5-7-9-21)32-25-12-10-24-19-30-15-14-22(24)16-25/h5-17,19-20,28,32H,4,18H2,1-3H3,(H,31,33)