3-[1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-3-yl]-N,N-dimethyl-aniline

Systemtic Name: 3-[1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-3-yl]-N,N-dimethyl-aniline Openeye Name: 3-[1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-3-yl]-N,N-dimethyl-aniline CAS Name: 3-[1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-3-yl]-N,N-dimethylaniline IUPAC Name: 3-[1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-3-yl]-N,N-dimethylaniline Traditional Name: [3-[1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-3-yl]phenyl]-dimethyl-amine Formula: C21H23ClN4 MolecularWeight: 366.88712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4Cl

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN4/c1-25(2)16-9-7-8-15(14-16)20-17-10-5-6-13-23-21(17)26(24-20)19-12-4-3-11-18(19)22/h3-4,7-9,11-12,14,24H,5-6,10,13H2,1-2H3