(4-tert-butylphenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]methanone Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C30H34N4O3/c1-30(2,3)25-10-8-23(9-11-25)29(35)32-18-16-31(17-19-32)26-12-13-27(34(36)37)28(20-26)33-15-14-22-6-4-5-7-24(22)21-33/h4-13,20H,14-19,21H2,1-3H3