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

Systemtic Name: N-[3-(butan-2-ylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(sec-butylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-[(butan-2-ylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(butan-2-ylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(sec-butylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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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)C)[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)C)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H30N4O4/c1-4-19(3)29-28(34)24-16-23(30-27(33)21-10-9-18(2)26(15-21)32(35)36)11-12-25(24)31-14-13-20-7-5-6-8-22(20)17-31/h5-12,15-16,19H,4,13-14,17H2,1-3H3,(H,29,34)(H,30,33)