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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(2-oxolanylmethylamino)methyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(tetrahydrofurfurylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C29H30N4O5 MolecularWeight: 514.5723

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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)NCC5CCCO5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5CCCO5)[N+](=O)[O-]

InChI

InChI=1S/C29H30N4O5/c1-19-8-9-21(15-27(19)33(36)37)28(34)31-23-10-11-26(32-13-12-20-5-2-3-6-22(20)18-32)25(16-23)29(35)30-17-24-7-4-14-38-24/h2-3,5-6,8-11,15-16,24H,4,7,12-14,17-18H2,1H3,(H,30,35)(H,31,34)