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

Systemtic Name: 2-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 2-[3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 2-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile IUPAC Name: 2-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 2-[3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C19H24N4 MolecularWeight: 308.42066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3C#N

Isomeric SMILES

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H24N4/c1-3-14(4-2)18-16-10-7-8-12-21-19(16)23(22-18)17-11-6-5-9-15(17)13-20/h5-6,9,11,14,22H,3-4,7-8,10,12H2,1-2H3