2-(4-naphthalen-1-ylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one

Systemtic Name: 2-(4-naphthalen-1-ylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Openeye Name: 2-[4-(1-naphthyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one CAS Name: 2-[4-(1-naphthalenyl)-1-piperazinyl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-butanone IUPAC Name: 2-(4-naphthalen-1-ylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Traditional Name: 2-[4-(1-naphthyl)piperazino]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Formula: C28H33N3O MolecularWeight: 427.58112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC2=C(CCNCC2)C=C1)N3CCN(CC3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC(C(=O)C1=CC2=C(CCNCC2)C=C1)N3CCN(CC3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H33N3O/c1-2-26(28(32)24-11-10-21-12-14-29-15-13-23(21)20-24)30-16-18-31(19-17-30)27-9-5-7-22-6-3-4-8-25(22)27/h3-11,20,26,29H,2,12-19H2,1H3