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

Systemtic Name: butanedioic acid; 7-chloranyl-6-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 7-chloro-6-[2-(2-pyridyl)ethynyl]-2,3,4,5-tetrahydro-1H-3-benzazepine; succinic acid CAS Name: butanedioic acid; 7-chloro-6-[2-(2-pyridinyl)ethynyl]-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: butanedioic acid; 7-chloro-6-(2-pyridin-2-ylethynyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 7-chloro-6-[2-(2-pyridyl)ethynyl]-2,3,4,5-tetrahydro-1H-3-benzazepine; succinic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2C#CC3=CC=CC=N3)Cl.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2C#CC3=CC=CC=N3)Cl.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H15ClN2.C4H6O4/c18-17-7-4-13-8-11-19-12-9-15(13)16(17)6-5-14-3-1-2-10-20-14;5-3(6)1-2-4(7)8/h1-4,7,10,19H,8-9,11-12H2;1-2H2,(H,5,6)(H,7,8)