2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5-dihydro-3H-2-benzazepin-1-one

Systemtic Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5-dihydro-3H-2-benzazepin-1-one Openeye Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5-dihydro-3H-2-benzazepin-1-one CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-4,5-dihydro-3H-2-benzazepin-1-one IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5-dihydro-3H-2-benzazepin-1-one Traditional Name: 2-[4-[4-(2-methoxyphenyl)piperazino]butyl]-4,5-dihydro-3H-2-benzazepin-1-one Formula: C25H33N3O2 MolecularWeight: 407.54842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCN3CCCC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN3CCCC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H33N3O2/c1-30-24-13-5-4-12-23(24)27-19-17-26(18-20-27)14-6-7-15-28-16-8-10-21-9-2-3-11-22(21)25(28)29/h2-5,9,11-13H,6-8,10,14-20H2,1H3