N-[3-[[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(4-chloranyl-3-ethoxy-phenyl)ethanoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[3-[[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(4-chloranyl-3-ethoxy-phenyl)ethanoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-[[[2-[(1-amino-6-isoquinolyl)amino]-2-(4-chloro-3-ethoxy-phenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide CAS Name: N-[3-[[[2-[(1-amino-6-isoquinolinyl)amino]-2-(4-chloro-3-ethoxyphenyl)-1-oxoethyl]amino]methyl]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-[[[2-[(1-aminoisoquinolin-6-yl)amino]-2-(4-chloro-3-ethoxyphenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[[[2-[(1-amino-6-isoquinolyl)amino]-2-(4-chloro-3-ethoxy-phenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide Formula: C31H33ClN6O3 MolecularWeight: 573.08512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC(=CC=C2)NC(=O)N3CCCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC(=CC=C2)NC(=O)N3CCCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)Cl

InChI

InChI=1S/C31H33ClN6O3/c1-2-41-27-18-22(8-11-26(27)32)28(36-24-9-10-25-21(17-24)12-13-34-29(25)33)30(39)35-19-20-6-5-7-23(16-20)37-31(40)38-14-3-4-15-38/h5-13,16-18,28,36H,2-4,14-15,19H2,1H3,(H2,33,34)(H,35,39)(H,37,40)