4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazino]-3-nitro-benzaldehyde Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O3/c1-15-4-6-19(12-16(15)2)17(3)22-8-10-23(11-9-22)20-7-5-18(14-25)13-21(20)24(26)27/h4-7,12-14,17H,8-11H2,1-3H3