N-[[4-(4-chloranyl-2-nitro-phenoxy)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

Systemtic Name: N-[[4-(4-chloranyl-2-nitro-phenoxy)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine Openeye Name: N-[[4-(4-chloro-2-nitro-phenoxy)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine CAS Name: N-[[4-(4-chloro-2-nitrophenoxy)phenyl]methyl]-3-(4-methyl-1-piperazinyl)-1-propanamine IUPAC Name: N-[[4-(4-chloro-2-nitrophenoxy)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine Traditional Name: [4-(4-chloro-2-nitro-phenoxy)benzyl]-[3-(4-methylpiperazino)propyl]amine Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNCC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCCNCC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H27ClN4O3/c1-24-11-13-25(14-12-24)10-2-9-23-16-17-3-6-19(7-4-17)29-21-8-5-18(22)15-20(21)26(27)28/h3-8,15,23H,2,9-14,16H2,1H3