N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-N-sec-butyl-benzamide Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4/c1-3-20(2)30-29(35)26-18-24(31-28(34)15-10-21-8-12-25(13-9-21)33(36)37)11-14-27(26)32-17-16-22-6-4-5-7-23(22)19-32/h4-15,18,20H,3,16-17,19H2,1-2H3,(H,30,35)(H,31,34)/b15-10+