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

Systemtic Name: 4-chloranyl-N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(cyclopropylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-nitro-benzamide Formula: C26H23ClN4O4 MolecularWeight: 490.93822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H23ClN4O4/c27-22-9-5-17(13-24(22)31(34)35)25(32)29-20-8-10-23(21(14-20)26(33)28-19-6-7-19)30-12-11-16-3-1-2-4-18(16)15-30/h1-5,8-10,13-14,19H,6-7,11-12,15H2,(H,28,33)(H,29,32)