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

Systemtic Name: N-[3-(cyclohexylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-(cyclohexylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-[(cyclohexylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(cyclohexylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(cyclohexylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitro-benzamide Formula: C30H32N4O4 MolecularWeight: 512.59948

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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)NC5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C30H32N4O4/c1-20-11-12-22(17-28(20)34(37)38)29(35)32-25-13-14-27(33-16-15-21-7-5-6-8-23(21)19-33)26(18-25)30(36)31-24-9-3-2-4-10-24/h5-8,11-14,17-18,24H,2-4,9-10,15-16,19H2,1H3,(H,31,36)(H,32,35)