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

Systemtic Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)carbonylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]benzamide Traditional Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]benzamide Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O4/c1-3-32(4-2)18-16-30-29(36)26-19-24(31-28(35)22-9-12-25(13-10-22)34(37)38)11-14-27(26)33-17-15-21-7-5-6-8-23(21)20-33/h5-14,19H,3-4,15-18,20H2,1-2H3,(H,30,36)(H,31,35)