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

Systemtic Name: 1-(4-nitrophenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-ethylpropyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-nitrophenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-nitrophenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-ethylpropyl)-1-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H24N4O2 MolecularWeight: 328.40876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O2/c1-3-13(4-2)17-16-7-5-6-12-19-18(16)21(20-17)14-8-10-15(11-9-14)22(23)24/h8-11,13,20H,3-7,12H2,1-2H3