4-(6-propan-2-yl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(6-propan-2-yl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl)benzenecarbonitrile Openeye Name: 4-(6-isopropyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl)benzonitrile CAS Name: 4-(6-propan-2-yl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl)benzonitrile IUPAC Name: 4-(6-propan-2-yl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-2-yl)benzonitrile Traditional Name: 4-(6-isopropyl-4,5,7,8-tetrahydropyrazol[3,4-d]azepin-2-yl)benzonitrile Formula: C17H20N4 MolecularWeight: 280.3675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC2=CN(N=C2CC1)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)N1CCC2=CN(N=C2CC1)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H20N4/c1-13(2)20-9-7-15-12-21(19-17(15)8-10-20)16-5-3-14(11-18)4-6-16/h3-6,12-13H,7-10H2,1-2H3