2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(2-piperidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(2-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-[[2-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[[2-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(2-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(2-piperidinobenzyl)acetamide Formula: C34H41N5O3 MolecularWeight: 567.72104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2N3CCCCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2N3CCCCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C34H41N5O3/c1-4-41-31-21-25(12-15-30(31)42-23(2)3)32(38-27-13-14-28-24(20-27)16-17-36-33(28)35)34(40)37-22-26-10-6-7-11-29(26)39-18-8-5-9-19-39/h6-7,10-17,20-21,23,32,38H,4-5,8-9,18-19,22H2,1-3H3,(H2,35,36)(H,37,40)