4-(8-chloranyl-3-methyl-7-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde

Systemtic Name: 4-(8-chloranyl-3-methyl-7-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde Openeye Name: 4-(8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde CAS Name: 4-(8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde IUPAC Name: 4-(8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde Traditional Name: 4-(8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde Formula: C18H18ClNO2 MolecularWeight: 315.79402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=C(C=C3)C=O)O)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=C(C=C3)C=O)O)Cl

InChI

InChI=1S/C18H18ClNO2/c1-20-7-6-14-8-17(19)18(22)9-15(14)16(10-20)13-4-2-12(11-21)3-5-13/h2-5,8-9,11,16,22H,6-7,10H2,1H3