2-[1-(4-azanyl-3-methoxy-phenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(4-azanyl-3-methoxy-phenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanenitrile Openeye Name: 2-[1-(4-amino-3-methoxy-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile CAS Name: 2-[1-[(4-amino-3-methoxyphenyl)-oxomethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile IUPAC Name: 2-[1-(4-amino-3-methoxybenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile Traditional Name: 2-[1-(4-amino-3-methoxy-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CC#N)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CC#N)N

InChI

InChI=1S/C20H20ClN3O2/c1-26-19-11-14(4-6-17(19)23)20(25)24-10-2-3-13(8-9-22)16-12-15(21)5-7-18(16)24/h4-7,11-13H,2-3,8,10,23H2,1H3