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

Systemtic Name: 4-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholinopropylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(4-morpholinyl)propylamino]-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholinopropylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C30H32ClN5O5 MolecularWeight: 578.05858

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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)NCCCN5CCOCC5

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)NCCCN5CCOCC5

InChI

InChI=1S/C30H32ClN5O5/c31-26-8-6-22(18-28(26)36(39)40)29(37)33-24-7-9-27(35-13-10-21-4-1-2-5-23(21)20-35)25(19-24)30(38)32-11-3-12-34-14-16-41-17-15-34/h1-2,4-9,18-19H,3,10-17,20H2,(H,32,38)(H,33,37)