2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one

Systemtic Name: 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Openeye Name: 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one CAS Name: 2-[4-(cyclohexylmethyl)-1-piperazinyl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-butanone IUPAC Name: 2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Traditional Name: 2-[4-(cyclohexylmethyl)piperazino]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Formula: C25H39N3O MolecularWeight: 397.59666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC2=C(CCNCC2)C=C1)N3CCN(CC3)CC4CCCCC4

Isomeric SMILES

CCC(C(=O)C1=CC2=C(CCNCC2)C=C1)N3CCN(CC3)CC4CCCCC4

InChI

InChI=1S/C25H39N3O/c1-2-24(25(29)23-9-8-21-10-12-26-13-11-22(21)18-23)28-16-14-27(15-17-28)19-20-6-4-3-5-7-20/h8-9,18,20,24,26H,2-7,10-17,19H2,1H3