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

Systemtic Name: 4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]butan-1-one Openeye Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[1-[(2-nitrophenyl)methyl]-4-piperidyl]butan-1-one CAS Name: 4-[1-[(2-nitrophenyl)methyl]-4-piperidinyl]-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-butanone IUPAC Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]butan-1-one Traditional Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[1-(2-nitrobenzyl)-4-piperidyl]butan-1-one Formula: C33H39N3O3 MolecularWeight: 525.68106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2)CC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CCCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2)CC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C33H39N3O3/c37-33(12-6-9-26-15-19-35(20-16-26)25-31-10-4-5-11-32(31)36(38)39)30-14-13-28-17-21-34(22-18-29(28)23-30)24-27-7-2-1-3-8-27/h1-5,7-8,10-11,13-14,23,26H,6,9,12,15-22,24-25H2