2-nitro-4-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]aniline

Systemtic Name: 2-nitro-4-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]aniline Openeye Name: 4-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]-2-nitro-aniline CAS Name: 2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]aniline IUPAC Name: 4-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-2-nitroaniline Traditional Name: [4-[3-(4-benzylpiperidino)prop-1-ynyl]-2-nitro-phenyl]amine Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O2/c22-20-9-8-18(16-21(20)24(25)26)7-4-12-23-13-10-19(11-14-23)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15,22H2