1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazine

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazine Openeye Name: 1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazine CAS Name: 1-(2,5-dimethylphenyl)-4-(1-pyrenylmethyl)piperazine IUPAC Name: 1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazine Traditional Name: 1-(2,5-dimethylphenyl)-4-(pyren-1-ylmethyl)piperazine Formula: C29H28N2 MolecularWeight: 404.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C29H28N2/c1-20-6-7-21(2)27(18-20)31-16-14-30(15-17-31)19-25-11-10-24-9-8-22-4-3-5-23-12-13-26(25)29(24)28(22)23/h3-13,18H,14-17,19H2,1-2H3