3-[[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]amino]methyl]benzamide

Systemtic Name: 3-[[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]amino]methyl]benzamide Openeye Name: 3-[[[2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]amino]methyl]benzamide CAS Name: 3-[[[2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-oxoethyl]amino]methyl]benzamide IUPAC Name: 3-[[[2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetyl]amino]methyl]benzamide Traditional Name: 3-[[[2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]amino]methyl]benzamide Formula: C30H33N5O4 MolecularWeight: 527.61412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N5O4/c1-4-38-26-16-21(8-11-25(26)39-18(2)3)27(30(37)34-17-19-6-5-7-22(14-19)29(32)36)35-23-9-10-24-20(15-23)12-13-33-28(24)31/h5-16,18,27,35H,4,17H2,1-3H3,(H2,31,33)(H2,32,36)(H,34,37)