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

Systemtic Name: 3-[4-(3-methylphenyl)piperidin-1-yl]-4-oxidanylidene-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal Openeye Name: 3-[4-(m-tolyl)-1-piperidyl]-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal CAS Name: 3-[4-(3-methylphenyl)-1-piperidinyl]-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal IUPAC Name: 3-[4-(3-methylphenyl)piperidin-1-yl]-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanal Traditional Name: 4-keto-3-[4-(m-tolyl)piperidino]-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butyraldehyde Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CCN(CC2)C(CC=O)C(=O)C3=CC4=C(CCNCC4)C=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2CCN(CC2)C(CC=O)C(=O)C3=CC4=C(CCNCC4)C=C3

InChI

InChI=1S/C26H32N2O2/c1-19-3-2-4-22(17-19)21-9-14-28(15-10-21)25(11-16-29)26(30)24-6-5-20-7-12-27-13-8-23(20)18-24/h2-6,16-18,21,25,27H,7-15H2,1H3