2-[4-(4-nitrophenyl)piperazin-1-yl]-3a,4,5,6-tetrahydro-1H-perimidine

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-3a,4,5,6-tetrahydro-1H-perimidine Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-3a,4,5,6-tetrahydro-1H-perimidine CAS Name: 2-[4-(4-nitrophenyl)-1-piperazinyl]-3a,4,5,6-tetrahydro-1H-perimidine IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-3a,4,5,6-tetrahydro-1H-perimidine Traditional Name: 2-[4-(4-nitrophenyl)piperazino]-3a,4,5,6-tetrahydro-1H-perimidine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(C1)C=CC=C3NC(=N2)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2C3=C(C1)C=CC=C3NC(=N2)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2/c27-26(28)17-9-7-16(8-10-17)24-11-13-25(14-12-24)21-22-18-5-1-3-15-4-2-6-19(23-21)20(15)18/h1,3,5,7-10,19H,2,4,6,11-14H2,(H,22,23)