4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-[3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]butan-1-one dihydrochloride

Systemtic Name: 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-[3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]butan-1-one dihydrochloride Openeye Name: 1-[3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-4-[1-(p-tolylmethyl)-4-piperidyl]butan-1-one dihydrochloride CAS Name: 4-[1-[(4-methylphenyl)methyl]-4-piperidinyl]-1-[3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-butanone dihydrochloride IUPAC Name: 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-[3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]butan-1-one dihydrochloride Traditional Name: 4-[1-(4-methylbenzyl)-4-piperidyl]-1-[3-(4-nitrobenzyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]butan-1-one dihydrochloride Formula: C34H43Cl2N3O3 MolecularWeight: 612.62952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)CCCC(=O)C3=CC4=C(CCN(CC4)CC5=CC=C(C=C5)[N+](=O)[O-])C=C3.Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)CCCC(=O)C3=CC4=C(CCN(CC4)CC5=CC=C(C=C5)[N+](=O)[O-])C=C3.Cl.Cl

InChI

InChI=1S/C34H41N3O3.2ClH/c1-26-5-7-28(8-6-26)24-35-19-15-27(16-20-35)3-2-4-34(38)32-12-11-30-17-21-36(22-18-31(30)23-32)25-29-9-13-33(14-10-29)37(39)40;;/h5-14,23,27H,2-4,15-22,24-25H2,1H3;2*1H