N-but-1-ynyl-2-nitro-4-[4-(phenylmethyl)piperidin-1-yl]aniline

Systemtic Name: N-but-1-ynyl-2-nitro-4-[4-(phenylmethyl)piperidin-1-yl]aniline Openeye Name: 4-(4-benzyl-1-piperidyl)-N-but-1-ynyl-2-nitro-aniline CAS Name: N-but-1-ynyl-2-nitro-4-[4-(phenylmethyl)-1-piperidinyl]aniline IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-but-1-ynyl-2-nitroaniline Traditional Name: [4-(4-benzylpiperidino)-2-nitro-phenyl]-but-1-ynyl-amine Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CNC1=C(C=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC#CNC1=C(C=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O2/c1-2-3-13-23-21-10-9-20(17-22(21)25(26)27)24-14-11-19(12-15-24)16-18-7-5-4-6-8-18/h4-10,17,19,23H,2,11-12,14-16H2,1H3