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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholinopropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(4-morpholinyl)propylamino]-oxomethyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholinopropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C31H35N5O5 MolecularWeight: 557.6401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C31H35N5O5/c1-22-7-8-24(19-29(22)36(39)40)30(37)33-26-9-10-28(35-14-11-23-5-2-3-6-25(23)21-35)27(20-26)31(38)32-12-4-13-34-15-17-41-18-16-34/h2-3,5-10,19-20H,4,11-18,21H2,1H3,(H,32,38)(H,33,37)