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

Systemtic Name: 3-but-1-ynyl-4-[4-(phenylmethyl)piperidin-1-yl]benzene-1,2-diamine Openeye Name: 4-(4-benzyl-1-piperidyl)-3-but-1-ynyl-benzene-1,2-diamine CAS Name: 3-but-1-ynyl-4-[4-(phenylmethyl)-1-piperidinyl]benzene-1,2-diamine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-3-but-1-ynylbenzene-1,2-diamine Traditional Name: [2-amino-4-(4-benzylpiperidino)-3-but-1-ynyl-phenyl]amine Formula: C22H27N3 MolecularWeight: 333.46988

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C=CC(=C1N)N)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC#CC1=C(C=CC(=C1N)N)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3/c1-2-3-9-19-21(11-10-20(23)22(19)24)25-14-12-18(13-15-25)16-17-7-5-4-6-8-17/h4-8,10-11,18H,2,12-16,23-24H2,1H3