4-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]benzene-1,2-diamine

Systemtic Name: 4-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]benzene-1,2-diamine Openeye Name: 4-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]benzene-1,2-diamine CAS Name: 4-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]benzene-1,2-diamine IUPAC Name: 4-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]benzene-1,2-diamine Traditional Name: [2-amino-4-[3-(4-benzylpiperidino)prop-1-ynyl]phenyl]amine Formula: C21H25N3 MolecularWeight: 319.4433

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC(=C(C=C3)N)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC(=C(C=C3)N)N

InChI

InChI=1S/C21H25N3/c22-20-9-8-18(16-21(20)23)7-4-12-24-13-10-19(11-14-24)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15,22-23H2