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

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitro-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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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)NC5CC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4/c1-17-6-7-19(14-25(17)31(34)35)26(32)29-22-10-11-24(23(15-22)27(33)28-21-8-9-21)30-13-12-18-4-2-3-5-20(18)16-30/h2-7,10-11,14-15,21H,8-9,12-13,16H2,1H3,(H,28,33)(H,29,32)