butanedioic acid; 7-chloranyl-6-(3-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: butanedioic acid; 7-chloranyl-6-(3-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 7-chloro-6-(3-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; succinic acid CAS Name: butanedioic acid; 7-chloro-6-(3-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: butanedioic acid; 7-chloro-6-(3-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 7-chloro-6-(3-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; succinic acid Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2C3=CC=CC(=C3)C4=CC=CC=C4)Cl.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2C3=CC=CC(=C3)C4=CC=CC=C4)Cl.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H20ClN.C4H6O4/c23-21-10-9-17-11-13-24-14-12-20(17)22(21)19-8-4-7-18(15-19)16-5-2-1-3-6-16;5-3(6)1-2-4(7)8/h1-10,15,24H,11-14H2;1-2H2,(H,5,6)(H,7,8)