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N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)carbonylamino]benzamide

N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)carbonylamino]benzamide

Systemtic Name:N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)carbonylamino]benzamide
Openeye Name:2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]-N-sec-butyl-benzamide
CAS Name:N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-nitrophenyl)-oxomethyl]amino]benzamide
IUPAC Name:N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]benzamide
Traditional Name:2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]-N-sec-butyl-benzamide
Formula: C27H28N4O4
MolecularWeight: 472.53562
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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)[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)[N+](=O)[O-])N3CCC4=CC=CC=C4C3


InChI

InChI=1S/C27H28N4O4/c1-3-18(2)28-27(33)24-16-22(29-26(32)20-8-11-23(12-9-20)31(34)35)10-13-25(24)30-15-14-19-6-4-5-7-21(19)17-30/h4-13,16,18H,3,14-15,17H2,1-2H3,(H,28,33)(H,29,32)


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