4-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholinoethylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(4-morpholinyl)ethylamino]-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholinoethylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C29H30ClN5O5 MolecularWeight: 564.032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)NCCN5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)NCCN5CCOCC5

InChI

InChI=1S/C29H30ClN5O5/c30-25-7-5-21(17-27(25)35(38)39)28(36)32-23-6-8-26(34-11-9-20-3-1-2-4-22(20)19-34)24(18-23)29(37)31-10-12-33-13-15-40-16-14-33/h1-8,17-18H,9-16,19H2,(H,31,37)(H,32,36)