3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal CAS Name: 3-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal Traditional Name: 4-keto-3-[4-(2-methoxyphenyl)piperazino]-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butyraldehyde Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(CC=O)C(=O)C3=CC4=C(CCNCC4)C=C3

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(CC=O)C(=O)C3=CC4=C(CCNCC4)C=C3

InChI

InChI=1S/C25H31N3O3/c1-31-24-5-3-2-4-22(24)27-13-15-28(16-14-27)23(10-17-29)25(30)21-7-6-19-8-11-26-12-9-20(19)18-21/h2-7,17-18,23,26H,8-16H2,1H3