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

Systemtic Name: N-[3-(butan-2-ylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(sec-butylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: N-[3-[(butan-2-ylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[3-(butan-2-ylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(sec-butylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C27H27ClN4O4 MolecularWeight: 506.98068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H27ClN4O4/c1-3-17(2)29-27(34)22-15-21(30-26(33)19-8-10-23(28)25(14-19)32(35)36)9-11-24(22)31-13-12-18-6-4-5-7-20(18)16-31/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,29,34)(H,30,33)