isoquinolin-3-yl N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]carbamate

Systemtic Name: isoquinolin-3-yl N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]carbamate Openeye Name: 3-isoquinolyl N-isobutyl-N-[[3-(4-morpholinoquinazolin-6-yl)phenyl]methyl]carbamate CAS Name: N-(2-methylpropyl)-N-[[3-[4-(4-morpholinyl)-6-quinazolinyl]phenyl]methyl]carbamic acid 3-isoquinolinyl ester IUPAC Name: isoquinolin-3-yl N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]carbamate Traditional Name: N-isobutyl-N-[3-(4-morpholinoquinazolin-6-yl)benzyl]carbamic acid 3-isoquinolyl ester Formula: C33H33N5O3 MolecularWeight: 547.64682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3N4CCOCC4)C(=O)OC5=CC6=CC=CC=C6C=N5

Isomeric SMILES

CC(C)CN(CC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3N4CCOCC4)C(=O)OC5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C33H33N5O3/c1-23(2)20-38(33(39)41-31-18-26-7-3-4-8-28(26)19-34-31)21-24-6-5-9-25(16-24)27-10-11-30-29(17-27)32(36-22-35-30)37-12-14-40-15-13-37/h3-11,16-19,22-23H,12-15,20-21H2,1-2H3