4-[3-(5-chloranyl-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(5-chloranyl-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(5-chloro-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 4-[3-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 4-[3-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile Traditional Name: 4-[3-(5-chloro-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C21H19ClN4O MolecularWeight: 378.85476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19ClN4O/c1-27-19-10-7-15(22)12-18(19)20-17-4-2-3-11-24-21(17)26(25-20)16-8-5-14(13-23)6-9-16/h5-10,12,25H,2-4,11H2,1H3